CAS RN: 2782-07-2
D-GALACTONO-1,4-LACTONE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS2782-07-2
- Purity/Analytical Methods: >99.0%
2782-07-2 / 5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
Basic Information
CAS
2782-07-2
Multi CAS
Yes
Molecular Formula
C6H10O6
Molecular Weight
178.140000
Exact Mass
178.047738
InChI
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2
InChIKey
SXZYCXMUPBBULW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
34.99
TPSA
107.22
LogP / Solubility
WLOGP
-3.01
MLOGP
-2.65
XLogP3
-2
Consensus LogP
-2.55
Log S (ESOL)
1.09
Class (ESOL)
Highly soluble
Log S (Ali)
1.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.44
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)
-5.95
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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