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64672-61-3 molecular structure
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2,3-dihydroxybutanedioate

ChemBase ID: 129708
Molecular Formular: C4H4O6--
Molecular Mass: 148.07096
Monoisotopic Mass: 148.00078785
SMILES and InChIs

SMILES:
O=C([O-])C(O)C(O)C(=O)[O-]
Canonical SMILES:
OC(C(C(=O)[O-])O)C(=O)[O-]
InChI:
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2
InChIKey:
FEWJPZIEWOKRBE-UHFFFAOYSA-L

Cite this record

CBID:129708 http://www.chembase.cn/molecule-129708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydroxybutanedioate
IUPAC Traditional name
tartrate
Synonyms
Tartrate
CAS Number
64672-61-3
PubChem SID
162223997
PubChem CID
3806114
CHEBI ID
30929
Chemspider ID
3033168
Wikipedia Title
Tartrate

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.719041  H Acceptors
H Donor LogD (pH = 5.5) -5.323427 
LogD (pH = 7.4) -7.890869  Log P -1.8287998 
Molar Refractivity 47.8876 cm3 Polarizability 10.630576 Å3
Polar Surface Area 120.72 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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