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CAS 15851-58-8 [2S,3R,(-)]-2,3-Dihydroxybutyric acid molecular structure lightbox
CAS RN: 15851-58-8

[2S,3R,(-)]-2,3-Dihydroxybutyric acid

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Batchno.20250506 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS15851-58-8
  • Purity/Analytical Methods: >99.0%
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15851-58-8 / (2S,3R)-2,3-dihydroxybutanoic acid

Standard CAS: 15851-58-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15851-58-8
Multi CAS
No
Molecular Formula
C4H8O4
Molecular Weight
120.100000
Exact Mass
120.042259
SMILES
C[C@H]([C@@H](C(=O)O)O)O
InChI
InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKey
LOUGYXZSURQALL-GBXIJSLDSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
25.32
TPSA
77.76

LogP / Solubility

WLOGP
-1.19
MLOGP
-1.05
XLogP3
-1.1
Consensus LogP
-1.11
Log S (ESOL)
0.3
Class (ESOL)
Highly soluble
Log S (Ali)
0.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
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)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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