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585-09-1 molecular structure
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dipotassium 2-hydroxybutanedioate

ChemBase ID: 129070
Molecular Formular: C4H4K2O5
Molecular Mass: 210.26816
Monoisotopic Mass: 209.93328659
SMILES and InChIs

SMILES:
C(C(C(=O)[O-])O)C(=O)[O-].[K+].[K+]
Canonical SMILES:
[O-]C(=O)CC(C(=O)[O-])O.[K+].[K+]
InChI:
InChI=1S/C4H6O5.2K/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKey:
SVICABYXKQIXBM-UHFFFAOYSA-L

Cite this record

CBID:129070 http://www.chembase.cn/molecule-129070.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dipotassium 2-hydroxybutanedioate
IUPAC Traditional name
dipotassium malate
Synonyms
Dipotassium malate
E351
Potassium malate
CAS Number
585-09-1
PubChem SID
162223370
PubChem CID
164689
Wikipedia Title
Potassium_malate

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.198357  H Acceptors
H Donor LogD (pH = 5.5) -3.9168313 
LogD (pH = 7.4) -6.814561  Log P -1.1136414 
Molar Refractivity 46.5494 cm3 Polarizability 9.883143 Å3
Polar Surface Area 100.49 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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