Home Cart 0 Sign in  

[ CAS No. 6363-53-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6363-53-7
Chemical Structure| 6363-53-7
Structure of 6363-53-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 6363-53-7 ]

Related Doc. of [ 6363-53-7 ]

Alternatived Products of [ 6363-53-7 ]

Product Details of [ 6363-53-7 ]

CAS No. :6363-53-7 MDL No. :MFCD00149343
Formula : C12H24O12 Boiling Point : -
Linear Structure Formula :- InChI Key :HBDJFVFTHLOSDW-DNDLZOGFSA-N
M.W : 360.31 Pubchem ID :23615261
Synonyms :
Maltose (hydrate);Malt Sugar;D-(+)-Maltose monohydrate;beta-Maltose monohydrate;D-(+)-Maltose;D-Maltose;Beta-Maltose;Maltobiose
Chemical Name :(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanal hydrate

Calculated chemistry of [ 6363-53-7 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.92
Num. rotatable bonds : 8
Num. H-bond acceptors : 12.0
Num. H-bond donors : 9.0
Molar Refractivity : 72.4
TPSA : 206.6 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -12.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.53
Log Po/w (XLOGP3) : -5.5
Log Po/w (WLOGP) : -5.62
Log Po/w (MLOGP) : -5.67
Log Po/w (SILICOS-IT) : -3.29
Consensus Log Po/w : -4.12

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : 1.92
Solubility : 29900.0 mg/ml ; 83.0 mol/l
Class : Highly soluble
Log S (Ali) : 1.82
Solubility : 23700.0 mg/ml ; 65.7 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 4.08
Solubility : 4370000.0 mg/ml ; 12100.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 5.28

Safety of [ 6363-53-7 ]

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:
Same Skeleton Products
Historical Records