Alternatived Products of [ 6155-35-7 ]
Product Details of [ 6155-35-7 ]
CAS No. : 6155-35-7
MDL No. : MFCD00071591
Formula :
C6 H14 O6
Boiling Point :
-
Linear Structure Formula : -
InChI Key : BNRKZHXOBMEUGK-NRBMBCGPSA-N
M.W :
182.17
Pubchem ID : 22856332
Synonyms :
6-deoxy-L-mannose monohydrate;α-L-Rhamnopyranose monohydrate
Chemical Name : (2R,3R,4R,5R,6S)-6-Methyltetrahydro-2H-pyran-2,3,4,5-tetraol hydrate
Calculated chemistry of [ 6155-35-7 ]
Physicochemical Properties
Num. heavy atoms :
12
Num. arom. heavy atoms :
0
Fraction Csp3 :
1.0
Num. rotatable bonds :
0
Num. H-bond acceptors :
6.0
Num. H-bond donors :
5.0
Molar Refractivity :
37.62
TPSA :
99.38 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) :
-9.23 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.17
Log Po/w (XLOGP3) :
-2.56
Log Po/w (WLOGP) :
-2.26
Log Po/w (MLOGP) :
-2.75
Log Po/w (SILICOS-IT) :
-1.72
Consensus Log Po/w :
-1.82
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
2.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
0.64
Solubility :
801.0 mg/ml ; 4.4 mol/l
Class :
Highly soluble
Log S (Ali) :
1.02
Solubility :
1900.0 mg/ml ; 10.4 mol/l
Class :
Highly soluble
Log S (SILICOS-IT) :
2.06
Solubility :
21200.0 mg/ml ; 116.0 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
4.14