CAS RN: 59080-45-4
HEXYL-BETA-D-GLUCOPYRANOSIDE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS59080-45-4
- Purity/Analytical Methods: >99.0%
59080-45-4 / (2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
59080-45-4
Multi CAS
Yes
Molecular Formula
C12H24O6
Molecular Weight
264.310000
Exact Mass
264.157288
InChI
InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
InChIKey
JVAZJLFFSJARQM-RMPHRYRLSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
63.86
TPSA
99.38
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.54
XLogP3
0.1
Consensus LogP
-0.35
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-4.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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