CAS RN: 6014-42-2
6-DEOXY-L-MANNOSE MONOHYDRATE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS6014-42-2
- Purity/Analytical Methods: >99.0%
6014-42-2 / 6-methyloxane-2,3,4,5-tetrol
Basic Information
CAS
6014-42-2
Multi CAS
Yes
Molecular Formula
C6H12O5
Molecular Weight
164.160000
Exact Mass
164.068473
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
InChIKey
SHZGCJCMOBCMKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
5
H-bond donors
4
Molar refractivity
34.57
TPSA
90.15
LogP / Solubility
WLOGP
-2.19
MLOGP
-1.93
XLogP3
-2.1
Consensus LogP
-2.07
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
0.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.09
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)
-5.28
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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