Molecule ID: 5459971

IUPAC Name: (3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid

Description: The molecule is a carboxylic ester arising from the formal condensation of the alcoholic hydroxy group of one molecule of (3R)-3-hydroxybutanoic acid with the the carboxylic acid group of another. It is a sex pheromone in the European spider Linyphia triangularis. It has a role as a pheromone and a fungal metabolite. It is a carboxylic ester and a (3R)-3-hydroxybutanoic acid oligomer. It derives from a butyric acid. It is a conjugate acid of a (R)-3-[(R)-3-hydroxybutanoyloxy]butanoate.

SMILES: C[C@H](CC(=O)O)OC(=O)C[C@@H](C)O

SELFIES: [C][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][O]

InChI: InChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: -0.3