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[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid sodium
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ChemBase ID:
133698
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Molecular Formular:
C9H15N3NaO11P2
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Molecular Mass:
426.166192
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Monoisotopic Mass:
426.00795086
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SMILES and InChIs
SMILES:
c1cn(c(=O)nc1N)C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)O.[Na]
Canonical SMILES:
OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1ccc(nc1=O)N.[Na]
InChI:
InChI=1S/C9H15N3O11P2.Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18);
InChIKey:
YAXSLIGLLVGXDC-UHFFFAOYSA-N
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Cite this record
CBID:133698 http://www.chembase.cn/molecule-133698.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid sodium
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IUPAC Traditional name
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cytidine diphosphate sodium
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Synonyms
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CDP sodium salt hydrate
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Cytidine 5′-diphosphate sodium salt hydrate
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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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1.7790669
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H Acceptors
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11
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H Donor
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6
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LogD (pH = 5.5)
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-7.7458944
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LogD (pH = 7.4)
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-8.376884
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Log P
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-3.3428817
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Molar Refractivity
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76.2906 cm3
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Polarizability
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30.864689 Å3
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Polar Surface Area
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221.67 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
C9755
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Application Cytidine 5′-diphosphate (CDP) is used as a substrate of CDP (nucleoside diphosphate) kinase (2.7.4.6) to produce CTP in support ofDNA and RNA biosynthesis and of ribonucleotide reductase to product dCMP. |
PATENTS
PATENTS
PubChem Patent
Google Patent