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{[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
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ChemBase ID:
126901
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Molecular Formular:
C9H14N3O7P
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Molecular Mass:
307.197121
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Monoisotopic Mass:
307.05693643
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SMILES and InChIs
SMILES:
c1cn(c(=O)nc1N)[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
Canonical SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccc(nc1=O)N
InChI:
InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey:
NCMVOABPESMRCP-SHYZEUOFSA-N
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Cite this record
CBID:126901 http://www.chembase.cn/molecule-126901.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
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IUPAC Traditional name
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Synonyms
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Deoxycytidine monophosphate
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dCMP
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2′-Deoxycytidine 5′-monophosphate
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Deoxycytidylic acid
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胞嘧啶脱氧核苷酸
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2′-脱氧胞苷 5′-单磷酸
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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CHEBI ID
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CHEMBL
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Chemspider ID
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MeSH Name
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Wikipedia Title
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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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1.2800924
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H Acceptors
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8
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H Donor
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4
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LogD (pH = 5.5)
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-4.4607296
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LogD (pH = 7.4)
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-5.543908
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Log P
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-2.284406
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Molar Refractivity
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63.907 cm3
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Polarizability
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25.347824 Å3
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Polar Surface Area
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154.91 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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true
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DETAILS
DETAILS
Wikipedia
Sigma Aldrich
Sigma Aldrich -
D7750
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包装 1 g in poly bottle Application 2′-Deoxycytidine 5′-monophosphate (dCMP) is used as a substrate of uridine monophosphate (UMP)/cytidine monophosphate (CMP) kinase (EC 2.7.4.4) to form dCDP which upon phosphorylation to dCTP supports DNA biosynthesis. Other Notes Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D7750.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin. |
PATENTS
PATENTS
PubChem Patent
Google Patent