chempirical

Hydroxycitric acid

C6H8O8CAS 6205-14-7208.12 g/mol

Open in Covalent MOL file
OHOHOOHOOHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C6H8O8
Molar mass
208.12 g/mol
Exact mass
208.0219 Da
logP
-2.28Crippen estimate
Polar surface area
152.4 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
5

Identifiers

CAS number
6205-14-7
SMILES
O=C(O)CC(O)(C(=O)O)C(O)C(=O)O
InChIKey
ZMJBYMUCKBYSCP-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Pentaric acid, 3-C-carboxy-2-deoxy-
  • 1,2,3-Propanetricarboxylic acid, 1,2-dihydroxy-
  • 3-C-Carboxy-2-deoxypentaric acid
  • Regulator
  • 1,2-Dihydroxypropane-1,2,3-tricarboxylic acid

Work with Hydroxycitric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Citric acid77-92-946 % similar Diammonium citrate3012-65-542 % similar Triammonium citrate3458-72-842 % similar 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-142 % similar Ammonium citrate7632-50-042 % similar 2,2-Dimethylsuccinic acid597-43-341 % similar Piperazine citrate144-29-640 % similar Bismuth subcitrate57644-54-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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