(+)-D-threo-Isocitric acid
(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Identity
(+)-D-threo-Isocitric acid
(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID: 5318532
D-threo-isocitric acid is the D-threo-diastereomer of isocitric acid. It is a conjugate acid of a D-threo-isocitrate(3-). It is an enantiomer of a L-threo-isocitric acid.
2D Structure
Properties
C6H8O7
Molecular Formula
192.12
Molecular Weight
g/mol
192.0270
Exact Mass
Da
-1.8
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
233
Complexity
SMILES
Canonical SMILES
SMILES: C(C(C(C(=O)O)O)C(=O)O)C(=O)OIsomeric SMILES
SMILES: C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)OSynonyms(20)
6061-97-8(+)-D-threo-Isocitric acidRefChem:203647D-threo-Isocitric acid(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid3-carboxy-2,3-dideoxy-L-threo-pentaric acid(+)-threo-isocitric acidCHEBI:151(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate18979-21-0ICTrel-(1S,2R)-1-Hydroxypropane-1,2,3-tricarboxylic acidDS-threo-isocitric acidThreo-isocitrate1grp
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (+)-D-threo-Isocitric acid
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