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6205-14-7 molecular structure
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1,2-dihydroxypropane-1,2,3-tricarboxylic acid

ChemBase ID: 127750
Molecular Formular: C6H8O8
Molecular Mass: 208.12292
Monoisotopic Mass: 208.02191722
SMILES and InChIs

SMILES:
O=C(O)C(O)C(O)(C(=O)O)CC(=O)O
Canonical SMILES:
OC(=O)CC(C(C(=O)O)O)(C(=O)O)O
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)
InChIKey:
ZMJBYMUCKBYSCP-UHFFFAOYSA-N

Cite this record

CBID:127750 http://www.chembase.cn/molecule-127750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dihydroxypropane-1,2,3-tricarboxylic acid
IUPAC Traditional name
hydroxycitric acid
Synonyms
Hydroxycitrate
Hydroxycitric acid
CAS Number
6205-14-7
PubChem SID
162222068
PubChem CID
123908
Chemspider ID
110439
Wikipedia Title
Hydroxycitric_acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.9028301  H Acceptors
H Donor LogD (pH = 5.5) -6.343498 
LogD (pH = 7.4) -10.7930765  Log P -2.0378458 
Molar Refractivity 36.9621 cm3 Polarizability 15.226525 Å3
Polar Surface Area 152.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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