CAS RN: 24286-28-0
6-deoxy-L-galactonolactone
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS24286-28-0
- Purity/Analytical Methods: >99.0%
24286-28-0 / (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-one
Basic Information
CAS
24286-28-0
Multi CAS
No
Molecular Formula
C6H10O5
Molecular Weight
162.140000
Exact Mass
162.052823
SMILES
C[C@@H]([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O
InChI
InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3/t2-,3-,4-,5+/m0/s1
InChIKey
VASLEPDZAKCNJX-NEEWWZBLSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
33.57
TPSA
86.99
LogP / Solubility
WLOGP
-1.99
MLOGP
-1.75
XLogP3
-1
Consensus LogP
-1.58
Log S (ESOL)
0.47
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.81
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)
-5.12
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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- Product Code: SSC-118459
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