(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Basic information
- CAS
13052-73-8- Standard SMILES
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O- InChIKey
XKJVEVRQMLKSMO-SSDOTTSWSA-N- Molecular formula
- C7H10O7
- Average molar mass
- 206.15 g/mol
- Monoisotopic mass
- 206.04265265
Overview
(2R)-homocitric acid is the (R)-enantiomer of homocitric acid. It is a conjugate acid of a (2R)-homocitrate(3-). It is an enantiomer of a (2S)-homocitric acid.
Names & identifiers
- Preferred name
- (R)-2-Hydroxybutane-1,2,4-tricarboxylate
- IUPAC
- (2R)-2-hydroxybutane-1,2,4-tricarboxylic acid
Names & synonyms
RefChem:1051057(R)-2-Hydroxybutane-1,2,4-tricarboxylateHomocitrate(2R)-2-hydroxybutane-1,2,4-tricarboxylic acid13052-73-83-Hydroxy-3-Carboxy-Adipic Acid(R)-2-hydroxybutane-1,2,4-tricarboxylic acid3-Hydroxy-3-carboxyadipic acid(2R)-homocitric acidHomocitric acid, (R)-(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid(2R)-2-Hydroxy-1,2,4-butanetricarboxylic acid
Show more names
ZKT4VU34U61,2,4-Butanetricarboxylic acid, 2-hydroxy-, (2R)-1,2,4-Butanetricarboxylic acid, 2-hydroxy-, (R)-(-)-(R)-homocitric acidUNII-ZKT4VU34U63-hydroxy-3-carboxyadipateSCHEMBL258974CHEBI:52222
Database identifiers
- CAS
13052-73-8- PubChem CID
- 439459
- DTXSID
DTXSID60863193- ChEBI
CHEBI:52222- UNII
- ZKT4VU34U6
- Nikkaji
- J1.418.938F
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section145 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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