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[ CAS No. 154-17-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 154-17-6
Chemical Structure| 154-17-6
Structure of 154-17-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 154-17-6 ]

CAS No. :154-17-6 MDL No. :
Formula : C6H12O5 Boiling Point : -
Linear Structure Formula :- InChI Key :VRYALKFFQXWPIH-PBXRRBTRSA-N
M.W : 164.15 Pubchem ID :108223
Synonyms :
2-DG;2-Deoxy-D-arabino-hexose;Ba 2758;NSC 15193;2-deoxyglucose;D-Arabino-2-deoxyhexose
Chemical Name :(3R,4S,5R)-3,4,5,6-Tetrahydroxyhexanal

Calculated chemistry of [ 154-17-6 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 4.0
Molar Refractivity : 35.8
TPSA : 97.99 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.52
Log Po/w (XLOGP3) : -2.88
Log Po/w (WLOGP) : -2.35
Log Po/w (MLOGP) : -2.1
Log Po/w (SILICOS-IT) : -0.93
Consensus Log Po/w : -1.55

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.29
Solubility : 3180.0 mg/ml ; 19.3 mol/l
Class : Highly soluble
Log S (Ali) : 1.38
Solubility : 3930.0 mg/ml ; 24.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.52
Solubility : 5500.0 mg/ml ; 33.5 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.97

Safety of [ 154-17-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 154-17-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 154-17-6 ]

[ 154-17-6 ] Synthesis Path-Downstream   1~88

  • 1
  • D-<i>arabino</i>-2-deoxy-hexose-dimethylacetal [ No CAS ]
  • [ 154-17-6 ]
  • 2
  • [ 64-17-5 ]
  • [ 154-17-6 ]
  • [ 40372-56-3 ]
  • 3
  • [ 154-17-6 ]
  • [ 95-78-3 ]
  • D-<i>arabino</i>-2-deoxy-hexose-(2,5-dimethyl-phenylimine) [ No CAS ]
  • 4
  • [ 154-17-6 ]
  • [ 127-09-3 ]
  • [ 16750-07-5 ]
  • 7
  • [ 154-17-6 ]
  • D-<i>arabino</i>-2-deoxy-hexaric acid-1=>4;6=>3-dilactone [ No CAS ]
  • 8
  • [ 67-56-1 ]
  • [ 154-17-6 ]
  • [ 71806-96-7 ]
  • 9
  • [ 67-56-1 ]
  • [ 154-17-6 ]
  • [ 6001-17-8 ]
  • 10
  • [ 61-58-5 ]
  • [ 154-17-6 ]
  • 11
  • [ 154-17-6 ]
  • [ 111-88-6 ]
  • (2R,3S,4R)-6,6-Bis-octylsulfanyl-hexane-1,2,3,4-tetraol [ No CAS ]
  • 12
  • [ 154-17-6 ]
  • [ 685-27-8 ]
  • [ 593-56-6 ]
  • [ 130202-46-9 ]
  • 13
  • [ 154-17-6 ]
  • [ 52-89-1 ]
  • [ 132545-46-1 ]
  • 14
  • [ 154-17-6 ]
  • [ 113-24-6 ]
  • [ 75003-84-8 ]
  • 15
  • [ 154-17-6 ]
  • [ 64-18-6 ]
  • [ 488-82-4 ]
  • [ 5729-75-9 ]
  • 16
  • [ 154-17-6 ]
  • [ 64-18-6 ]
  • [ 488-82-4 ]
  • [ 5729-75-9 ]
  • [ 75754-51-7 ]
  • 17
  • [ 154-17-6 ]
  • [ 61-58-5 ]
  • 18
  • [ 154-17-6 ]
  • [ 20830-67-5 ]
  • [ 5729-75-9 ]
  • 19
  • [ 154-17-6 ]
  • [ 488-82-4 ]
  • [ 75754-51-7 ]
  • 22
  • [ 154-17-6 ]
  • [ 108-24-7 ]
  • [ 49560-35-2 ]
  • 23
  • [ 154-17-6 ]
  • [ 76-83-5 ]
  • [ 84457-54-5 ]
  • 24
  • [ 120-72-9 ]
  • [ 154-17-6 ]
  • (2R,3S,4R)-6,6-Bis-(1H-indol-2-yl)-hexane-1,2,3,4-tetraol [ No CAS ]
  • 25
  • [ 120-72-9 ]
  • [ 154-17-6 ]
  • [ 108-24-7 ]
  • Acetic acid (1R,2S,3R)-2,3,4-triacetoxy-1-[2,2-bis-(1H-indol-2-yl)-ethyl]-butyl ester [ No CAS ]
  • 26
  • [ 154-17-6 ]
  • (4R,6R)-2,4-Dihydroxy-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester [ No CAS ]
  • 27
  • [ 154-17-6 ]
  • (4R,6R)-4-Acetoxy-2-hydroxy-6-((1S,2R)-1,2,3-triacetoxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester [ No CAS ]
  • 28
  • [ 154-17-6 ]
  • [ 188949-35-1 ]
  • 29
  • [ 154-17-6 ]
  • [ 74545-14-5 ]
  • 30
  • [ 154-17-6 ]
  • 1-O-(2'-acetoxy)benzoyl-α-D-2-deoxyglucopyranose [ No CAS ]
  • 31
  • [ 154-17-6 ]
  • [ 74545-15-6 ]
  • 32
  • [ 154-17-6 ]
  • [ 74545-16-7 ]
  • 33
  • [ 154-17-6 ]
  • (3R,4S,5R)-6-Trityloxy-hexane-1,3,4,5-tetraol [ No CAS ]
  • 34
  • [ 154-17-6 ]
  • 2,3,4,6-tetra-O-benzyl-5-deoxy-D-lyxo-hexose [ No CAS ]
  • 36
  • [ 154-17-6 ]
  • 8,9,10,12-tetra-O-benzyl-2,3,4,5,11-pentadeoxy-aldehydo-D-lyxo-6-dodecenose ethylene acetal [ No CAS ]
  • 37
  • [ 154-17-6 ]
  • 2,3,4,6-tetra-O-benzyl-1-O-trityl-5-deoxy-D-lyxo-hexose [ No CAS ]
  • 38
  • [ 154-17-6 ]
  • (3R,4R,5R)-Hexadecane-1,3,4,5,15-pentaol [ No CAS ]
  • 39
  • [ 154-17-6 ]
  • 8,9,10,12-tetra-O-benzyl-2,3,4,5,11-pentadeoxy-aldehydo-D-lyxo-6-dodecenose [ No CAS ]
  • 40
  • [ 154-17-6 ]
  • 1,3,4,5-tetra-O-benzyl-2,8,9,10,11,14,16-heptadeoxy-DL-glycero-D-arabino-hexadeca-6,12-dienitol [ No CAS ]
  • 45
  • [ 154-17-6 ]
  • 4-((2R,3R)-3-Hydroxy-5-methoxy-tetrahydro-furan-2-yl)-butyric acid [ No CAS ]
  • 46
  • [ 154-17-6 ]
  • (2R,3R)-2-(4,4-Diisopropoxy-butyl)-5-methoxy-tetrahydro-furan-3-ol [ No CAS ]
  • 47
  • [ 154-17-6 ]
  • 4-((2R,3R)-3,5-Dihydroxy-tetrahydro-furan-2-yl)-butyric acid methyl ester [ No CAS ]
  • 48
  • [ 154-17-6 ]
  • 4-((2R,3R)-3-Hydroxy-5-methoxy-tetrahydro-furan-2-yl)-butyric acid methyl ester [ No CAS ]
  • 49
  • [ 154-17-6 ]
  • (2R,3R)-2-((E)-4,4-Diisopropoxy-but-1-enyl)-5-methoxy-tetrahydro-furan-3-ol [ No CAS ]
  • 52
  • [ 154-17-6 ]
  • (4R,5R)-4-(tert-Butyl-diphenyl-silanyloxy)-5-pentyl-tetrahydro-furan-2-ol [ No CAS ]
  • 53
  • [ 154-17-6 ]
  • (R)-6-[(3Z,6Z,9Z)-(R)-1-(Tetrahydro-pyran-2-yloxy)-pentadeca-3,6,9-trienyl]-tetrahydro-pyran-2-one [ No CAS ]
  • 54
  • [ 154-17-6 ]
  • (8Z,11Z,14Z)-(5R,6R)-5-Hydroxy-6-(tetrahydro-pyran-2-yloxy)-icosa-8,11,14-trienoic acid methyl ester [ No CAS ]
  • 55
  • [ 154-17-6 ]
  • Toluene-4-sulfonic acid (3Z,6Z,9Z)-(R)-1-((R)-6-oxo-tetrahydro-pyran-2-yl)-pentadeca-3,6,9-trienyl ester [ No CAS ]
  • 56
  • [ 154-17-6 ]
  • (8Z,11Z,14Z)-(5R,6R)-6-Hydroxy-5-(toluene-4-sulfonyloxy)-icosa-8,11,14-trienoic acid methyl ester [ No CAS ]
  • 57
  • [ 154-17-6 ]
  • (8Z,11Z,14Z)-(5R,6R)-6-(Tetrahydro-pyran-2-yloxy)-5-(toluene-4-sulfonyloxy)-icosa-8,11,14-trienoic acid methyl ester [ No CAS ]
  • 58
  • [ 154-17-6 ]
  • 5(R),6(S)-epoxyeicosatrienoic acid [ No CAS ]
  • 59
  • [ 154-17-6 ]
  • methyl 5(S),6(R)-epoxyeicosatrienoate [ No CAS ]
  • 62
  • [ 154-17-6 ]
  • [ 98050-06-7 ]
  • 63
  • [ 154-17-6 ]
  • glucal [ No CAS ]
  • [ 136771-01-2 ]
  • 64
  • [ 154-17-6 ]
  • glucal [ No CAS ]
  • 2,6-Dioxo-4-((2R,3S,4R)-2,3,4,5-tetrakis-benzyloxy-pentyl)-piperidine-3-carboxylic acid tert-butyl ester [ No CAS ]
  • 65
  • [ 154-17-6 ]
  • glucal [ No CAS ]
  • 4-((2R,3S,4R)-2,3,4,5-Tetrahydroxy-pentyl)-piperidine-2,6-dione [ No CAS ]
  • 66
  • [ 154-17-6 ]
  • glucal [ No CAS ]
  • [ 144898-75-9 ]
  • 67
  • [ 154-17-6 ]
  • glucal [ No CAS ]
  • (E)-(5R,6S,7R)-5,6,7,8-Tetrakis-benzyloxy-oct-2-enoic acid methyl ester [ No CAS ]
  • 68
  • [ 154-17-6 ]
  • glucal [ No CAS ]
  • 4-((2R,3S,4R)-2,3,4,5-Tetrakis-benzyloxy-pentyl)-piperidine-2,6-dione [ No CAS ]
  • 69
  • [ 154-17-6 ]
  • glucal [ No CAS ]
  • 2,6-Dioxo-4-((2R,3S,4R)-2,3,4,5-tetrakis-benzyloxy-pentyl)-piperidine-3-carboxylic acid [ No CAS ]
  • 70
  • [ 154-17-6 ]
  • glucal [ No CAS ]
  • [ 92574-10-2 ]
  • 71
  • [ 60405-34-7 ]
  • [ 154-17-6 ]
  • 72
  • [ 73982-64-6 ]
  • [ 154-17-6 ]
  • 73
  • [ 73982-54-4 ]
  • [ 154-17-6 ]
  • 74
  • [ 6207-30-3 ]
  • [ 154-17-6 ]
  • 75
  • [ 73982-68-0 ]
  • [ 154-17-6 ]
  • 76
  • [ 73982-66-8 ]
  • [ 154-17-6 ]
  • 77
  • [ 154-17-6 ]
  • [ 136771-01-2 ]
  • 78
  • [ 154-17-6 ]
  • [ 115050-65-2 ]
  • 79
  • [ 154-17-6 ]
  • D-<i>arabino</i>-2-deoxy-hexose-dimethylacetal [ No CAS ]
  • 80
  • [ 154-17-6 ]
  • [ 73591-67-0 ]
  • 81
  • [ 154-17-6 ]
  • [ 16885-34-0 ]
  • 82
  • [ 154-17-6 ]
  • tetra-<i>O</i>-acetyl-<i>aldehydo</i>-D-<i>arabino</i>-2-deoxy-hexose-dibenzyldithioacetal [ No CAS ]
  • 83
  • [ 154-17-6 ]
  • [ 71806-96-7 ]
  • 84
  • [ 154-17-6 ]
  • tetra-<i>O</i>-acetyl-<i>aldehydo</i>-<i>arabino</i>-2-deoxy-hexose-(benzyl-phenyl-hydrazone) [ No CAS ]
  • 85
  • [ 154-17-6 ]
  • ethyl-[tris-<i>O</i>-(toluene-4-sulfonyl)-α-D-<i>arabino</i>-2-deoxy-hexopyranoside [ No CAS ]
  • 86
  • [ 154-17-6 ]
  • ethyl-[tris-<i>O</i>-(4-nitro-benzoyl)-α-D-<i>arabino</i>-2-deoxy-hexopyranoside] [ No CAS ]
  • 87
  • [ 154-17-6 ]
  • sodium borate [ No CAS ]
  • [ 16885-34-0 ]
  • 88
  • [ 154-17-6 ]
  • sodium borate [ No CAS ]
  • [ 6752-48-3 ]
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