Disodium 6-amino-5-(phosphonatosulfanylmethyl)-1H-pyrimidin-2-one

HCID 180147

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Basic information

CAS: 122916-39-6
Standard SMILES: Nc1[nH]c(=O)ncc1CSP(=O)([O-])[O-].[Na+].[Na+]
InChIKey: CRXZEKGTTACARG-UHFFFAOYSA-L
Molecular formula: C5H6N3Na2O4PS
Average molar mass: 281.14 g/mol
Monoisotopic mass: 280.96120242

Names & identifiers

Preferred name: Disodium 6-amino-5-(phosphonatosulfanylmethyl)-1H-pyrimidin-2-one
IUPAC: disodium;6-amino-5-(phosphonatosulfanylmethyl)-1H-pyrimidin-2-one

Names & synonyms

122916-39-61H-Pyrimidin-2-one, 6-amino-5-(phosphonatosulfanylmethyl)-, disodium saltDisodium 6-amino-5-(phosphonatosulfanylmethyl)-1H-pyrimidin-2-oneDTXSID40153786Disodium S-[(6-amino-2-oxo-1,2-dihydropyrimidin-5-yl)methyl] phosphorothioate

Database identifiers

CAS: 122916-39-6
PubChem CID: 180147
DTXSID: DTXSID40153786

Properties

Computed structural properties

Topological polar surface area: 156 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 348

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