(3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate
[(3R)-3-hydroxybutyl] (3R)-3-hydroxybutanoate
Molecular Identity
(3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate
[(3R)-3-hydroxybutyl] (3R)-3-hydroxybutanoate
PubChem CID: 44631890
2D Structure
Properties
C8H16O4
Molecular Formula
176.21
Molecular Weight
g/mol
176.1049
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
135
Complexity
SMILES
Canonical SMILES
SMILES: CC(CCOC(=O)CC(C)O)OIsomeric SMILES
SMILES: C[C@H](CCOC(=O)C[C@@H](C)O)OSynonyms(20)
1208313-97-6(3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate(R)-Hydroxybutyl (R)-3-hydroxybutyrate ester(R)-Hydroxybutyl (R)-3-hydroxybutyrateD-beta-Hydroxybutyrate esterX587FW03723'-Hydroxybutyl (3R)-3-hydroxybutanoate, (3'R)-Butanoic acid, 3-hydroxy-, (3R)-3-hydroxybutyl ester, (3R)-RefChem:1050241Ketone EsterBD-AcAc 2(R,R)-BD-AcAc 2[(3R)-3-hydroxybutyl] (3R)-3-hydroxybutanoateUNII-X587FW0372MFCD22417094
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate
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