CAS RN: 7306-96-9
L-Threonic Acid
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS7306-96-9
- Purity/Analytical Methods: >99.0%
7306-96-9 / (2S,3R)-2,3,4-trihydroxybutanoic acid
Basic Information
CAS
7306-96-9
Multi CAS
Yes
Molecular Formula
C4H8O5
Molecular Weight
136.100000
Exact Mass
136.037173
InChI
InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1
InChIKey
JPIJQSOTBSSVTP-GBXIJSLDSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
26.74
TPSA
97.99
LogP / Solubility
WLOGP
-2.21
MLOGP
-1.96
XLogP3
-2.1
Consensus LogP
-2.09
Log S (ESOL)
0.91
Class (ESOL)
Highly soluble
Log S (Ali)
0.92
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.93
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
2.5
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