CAS RN: 14168-65-1
1,6-ANHYDRO-BETA-D-MANNOPYRANOSE
Product Availability
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4 package records2 with current stock3 grade groups
- Product code: starshine_CAS14168-65-1
- Purity/Analytical Methods: >99.0%
14168-65-1 / (1R,2S,3S,4S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Basic Information
CAS
14168-65-1
Multi CAS
No
Molecular Formula
C6H10O5
Molecular Weight
162.140000
Exact Mass
162.052823
SMILES
C1[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O1)O2)O)O)O
InChI
InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKey
TWNIBLMWSKIRAT-RWOPYEJCSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
32.63
TPSA
79.15
LogP / Solubility
WLOGP
-2.18
MLOGP
-1.92
XLogP3
-2.1
Consensus LogP
-2.07
Log S (ESOL)
0.53
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)
-5.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.
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