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1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione sodium
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ChemBase ID:
131052
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Molecular Formular:
C9H11N2NaO8P
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Molecular Mass:
329.155771
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Monoisotopic Mass:
329.01507123
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SMILES and InChIs
SMILES:
c1cn(c(=O)[nH]c1=O)C1C2C(C(O1)CO)OP(=O)(O2)O.[Na]
Canonical SMILES:
OCC1OC(C2C1OP(=O)(O2)O)n1ccc(=O)[nH]c1=O.[Na]
InChI:
InChI=1S/C9H11N2O8P.Na/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14;/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14);
InChIKey:
ZVUXLXMQXFCQAL-UHFFFAOYSA-N
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Cite this record
CBID:131052 http://www.chembase.cn/molecule-131052.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione sodium
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IUPAC Traditional name
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1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-4-yl]-3H-pyrimidine-2,4-dione sodium
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Synonyms
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Uridine 2′:3′-cyclic monophosphate sodium salt
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CAS Number
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EC 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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1.7621871
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H Acceptors
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6
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H Donor
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3
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LogD (pH = 5.5)
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-4.000279
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LogD (pH = 7.4)
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-4.020572
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Log P
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-1.6422703
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Molar Refractivity
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59.6595 cm3
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Polarizability
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24.319696 Å3
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Polar Surface Area
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134.63 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
German water hazard class
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3
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Show
data source
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
U9125
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Caution Do not confuse with the common uridine 2′(3′)-monophosphate mixed isomers |
PATENTS
PATENTS
PubChem Patent
Google Patent