CAS RN: 7283-09-2
BETA-D-ALLOSE
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS7283-09-2
- Purity/Analytical Methods: >99.0%
7283-09-2 / 6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Basic Information
CAS
7283-09-2
Multi CAS
Yes
Molecular Formula
C6H12O6
Molecular Weight
180.160000
Exact Mass
180.063388
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
InChIKey
WQZGKKKJIJFFOK-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid; [Merck Index] Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
35.99
TPSA
110.38
LogP / Solubility
WLOGP
-3.22
MLOGP
-2.84
XLogP3
-2.6
Consensus LogP
-2.89
Log S (ESOL)
1.14
Class (ESOL)
Highly soluble
Log S (Ali)
1.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.72
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)
-6.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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