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{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid sodium
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ChemBase ID:
132974
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Molecular Formular:
C6H13NaO9P
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Molecular Mass:
283.125551
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Monoisotopic Mass:
283.01948791
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SMILES and InChIs
SMILES:
C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O.[Na]
Canonical SMILES:
OCC1OC(C(C1O)O)(O)COP(=O)(O)O.[Na]
InChI:
InChI=1S/C6H13O9P.Na/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13;/h3-5,7-10H,1-2H2,(H2,11,12,13);
InChIKey:
WUTTYKYHNBHVOM-UHFFFAOYSA-N
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Cite this record
CBID:132974 http://www.chembase.cn/molecule-132974.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid sodium
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IUPAC Traditional name
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fructose 1-phosphate sodium
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Synonyms
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D-Fructose 1-phosphate sodium salt
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CAS 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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1.161327
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H Acceptors
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8
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H Donor
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6
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LogD (pH = 5.5)
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-5.333614
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LogD (pH = 7.4)
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-6.4658937
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Log P
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-2.8815653
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Molar Refractivity
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47.2337 cm3
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Polarizability
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19.793747 Å3
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Polar Surface Area
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156.91 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent