Home Cart 0 Sign in  

[ CAS No. 6322-07-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6322-07-2
Chemical Structure| 6322-07-2
Structure of 6322-07-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 6322-07-2 ]

Related Doc. of [ 6322-07-2 ]

Alternatived Products of [ 6322-07-2 ]

Product Details of [ 6322-07-2 ]

CAS No. :6322-07-2 MDL No. :MFCD00005391
Formula : C6H10O6 Boiling Point : -
Linear Structure Formula :- InChI Key :SXZYCXMUPBBULW-LECHCGJUSA-N
M.W : 178.14 Pubchem ID :165105
Synonyms :
D-Gulono-1,4-lactone;D-Gulonic acid γ-lactone;NSC 34392;D-Gulono γ-lactone;D-Gulonic Acid-1,4-lactone

Calculated chemistry of [ 6322-07-2 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 4.0
Molar Refractivity : 34.77
TPSA : 107.22 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) : -8.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.07
Log Po/w (XLOGP3) : -2.03
Log Po/w (WLOGP) : -3.01
Log Po/w (MLOGP) : -2.49
Log Po/w (SILICOS-IT) : -1.53
Consensus Log Po/w : -1.8

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.47
Solubility : 521.0 mg/ml ; 2.93 mol/l
Class : Highly soluble
Log S (Ali) : 0.3
Solubility : 358.0 mg/ml ; 2.01 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.92
Solubility : 14900.0 mg/ml ; 83.4 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.3

Safety of [ 6322-07-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6322-07-2 ]

* 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.

  • Upstream synthesis route of [ 6322-07-2 ]
  • Downstream synthetic route of [ 6322-07-2 ]

[ 6322-07-2 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 20246-33-7 ]
  • [ 6322-07-2 ]
Reference: [1] Journal of Biological Chemistry, 1925, vol. 65, p. 33,41, 43
  • 2
  • [ 58-86-6 ]
  • [ 74-90-8 ]
  • [ 6322-07-2 ]
Reference: [1] Chemische Berichte, 1891, vol. 24, p. 529
  • 3
  • [ 74-90-8 ]
  • [ 609-06-3 ]
  • [ 6322-07-2 ]
Reference: [1] Journal of Biological Chemistry, 1918, vol. 36, p. 348
[2] Justus Liebigs Annalen der Chemie, 1914, vol. 403, p. 249[3] Justus Liebigs Annalen der Chemie, 1910, vol. 376, p. 55 Anm.
  • 4
  • [ 50-70-4 ]
  • [ 2280-44-6 ]
  • [ 6322-07-2 ]
  • [ 90-80-2 ]
Reference: [1] Helvetica Chimica Acta, 2000, vol. 83, # 12, p. 3211 - 3228
  • 5
  • [ 58-86-6 ]
  • [ 6322-07-2 ]
Reference: [1] Org. Synth. Coll. Vol. IV, <1963> 506,
Same Skeleton Products
Historical Records