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potassium (2R,3R,4R,5S)-5-carboxy-2,3,4,5-tetrahydroxypentanoate
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ChemBase ID:
138962
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Molecular Formular:
C6H9KO8
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Molecular Mass:
248.22916
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Monoisotopic Mass:
247.99344893
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SMILES and InChIs
SMILES:
[C@@H]([C@H]([C@H](C(=O)[O-])O)O)([C@@H](C(=O)O)O)O.[K+]
Canonical SMILES:
O[C@H]([C@@H]([C@H]([C@@H](C(=O)O)O)O)O)C(=O)[O-].[K+]
InChI:
InChI=1S/C6H10O8.K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+1/p-1/t1-,2-,3-,4+;/m1./s1
InChIKey:
UBYZGUWQNIEQMH-IAMDKXPVSA-M
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Cite this record
CBID:138962 http://www.chembase.cn/molecule-138962.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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potassium (2R,3R,4R,5S)-5-carboxy-2,3,4,5-tetrahydroxypentanoate
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IUPAC Traditional name
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potassium (2R,3R,4R,5S)-5-carboxy-2,3,4,5-tetrahydroxypentanoate
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Synonyms
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D-Glucaric acid monopotassium salt
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D-Glucosaccharic acid monopotassium salt
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D-Saccharic acid monopotassium salt
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Glucaric Acid
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Glucosaccharic acid
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D-Saccharic acid potassium salt
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CAS Number
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EC Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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2.8286042
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H Acceptors
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8
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H Donor
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5
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LogD (pH = 5.5)
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-7.6667438
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LogD (pH = 7.4)
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-9.969251
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Log P
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-3.0894697
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Molar Refractivity
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48.9755 cm3
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Polarizability
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15.770015 Å3
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Polar Surface Area
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158.35 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent