CAS RN: 18545-96-5
1-Deoxy-D-glucitol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260404 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS18545-96-5
- Purity/Analytical Methods: >99.0%
18545-96-5 / (2R,3R,4R,5S)-hexane-1,2,3,4,5-pentol
Basic Information
CAS
18545-96-5
Multi CAS
No
Molecular Formula
C6H14O5
Molecular Weight
166.170000
Exact Mass
166.084124
SMILES
C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6+/m0/s1
InChIKey
SKCKOFZKJLZSFA-SLPGGIOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
5
Molar refractivity
36.79
TPSA
101.15
LogP / Solubility
WLOGP
-2.56
MLOGP
-2.25
XLogP3
-2
Consensus LogP
-2.27
Log S (ESOL)
1.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.92
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.9
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)
-5.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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