CAS RN: 24332-98-7
Methyl β-L-Fucopyranoside
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| Batchno.20260406 |
1g |
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24332-98-7 / 2-methoxy-6-methyloxane-3,4,5-triol
Standard CAS: 24332-98-7
Multi CAS: No
Basic Information
CAS
24332-98-7
Multi CAS
No
Molecular Formula
C7H14O5
Molecular Weight
178.180000
Exact Mass
178.084124
SMILES
CC1C(C(C(C(O1)OC)O)O)O
InChI
InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3
InChIKey
OHWCAVRRXKJCRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
39.36
TPSA
79.15
LogP / Solubility
WLOGP
-1.54
MLOGP
-1.36
XLogP3
-1.6
Consensus LogP
-1.5
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.34
Class (SILICOS-IT)
Highly soluble
ADME
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)
-4.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4