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CAS 28905-12-6 beta-D-Glucose molecular structure lightbox
CAS RN: 28905-12-6

beta-D-Glucose

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251128 100g Out of stock Inquiry
Batchno.20251128 25g Out of stock Inquiry
Batchno.20260404 5g In stock Inquiry
  • Product code: starshine_CAS28905-12-6
  • Purity/Analytical Methods: >99.0%
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28905-12-6 / 6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Standard CAS: 28905-12-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28905-12-6
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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