trisodium ({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate

Compound number:
MolPort-039-070-050
CAS number: 151151-32-5
IUPAC:
trisodium ({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC traditional:
trisodium {[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxyphosphonate
SMILES:
[Na+].[Na+].[Na+].Nc1ccn(C2CC(O)C(COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1
InChI key:
SXMDNHAPEVRFNF-UHFFFAOYSA-K
Molecular formula:
C9H12N3Na3O10P2
Molecular weight: 453.123
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Compound Identifiers
Compound number: MolPort-039-070-050
CAS number: 151151-32-5

Names, Synonyms and 3rd Party Identifiers
Name: MFCD00056068
2'-Deoxycytidine-5'-diphosphate trisodium salt

InChI
InChI: 1S/C9H15N3O10P2.3Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17);;;/q;3*+1/p-3
InChI key: SXMDNHAPEVRFNF-UHFFFAOYSA-K

Calculated Properties
Molecular formula: C9H12N3Na3O10P2
Molecular weight: 453.123

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2019 MolPort, v3.16, release date 11-09-2019 16:00 (+0200). All rights reserved.
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