disodium hydrogen ({4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-5-yl phosphonato}oxy)phosphonate

Compound number:
MolPort-039-070-016
CAS number: 54394-90-0
IUPAC:
disodium hydrogen ({4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-5-yl phosphonato}oxy)phosphonate
IUPAC traditional:
disodium hydrogen {4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl phosphonato}oxyphosphonate
SMILES:
[Na+].[Na+].Nc1nc(=O)n(cc1OP([O-])(=O)OP(O)([O-])=O)C1OC(CO)C(O)C1O
InChI key:
BHEVOIVFYVMRPE-UHFFFAOYSA-L
Molecular formula:
C9H13N3Na2O12P2
Molecular weight: 463.139
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Compound Identifiers
Compound number: MolPort-039-070-016
CAS number: 54394-90-0

Names, Synonyms and 3rd Party Identifiers
Name: MFCD00084682
Cytidine-5-diphosphatedisodiumsalt

InChI
InChI: 1S/C9H15N3O12P2.2Na/c10-7-3(23-26(20,21)24-25(17,18)19)1-12(9(16)11-7)8-6(15)5(14)4(2-13)22-8;;/h1,4-6,8,13-15H,2H2,(H,20,21)(H2,10,11,16)(H2,17,18,19);;/q;2*+1/p-2
InChI key: BHEVOIVFYVMRPE-UHFFFAOYSA-L

Calculated Properties
Molecular formula: C9H13N3Na2O12P2
Molecular weight: 463.139

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