[(2R,3S,4R,5S)-5-(3-aminocarbonyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl] methyl phosphono phosphate

Systemtic Name: [(2R,3S,4R,5S)-5-(3-aminocarbonyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl] methyl phosphono phosphate Openeye Name: [(2R,3S,4R,5S)-5-(3-carbamoyl-2-oxo-pyrazin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl] methyl phosphono phosphate CAS Name: phosphoric acid [(2R,3S,4R,5S)-5-(3-carbamoyl-2-oxo-1-pyrazinyl)-3,4-dihydroxy-2-oxolanyl] methyl phosphono ester IUPAC Name: [(2R,3S,4R,5S)-5-(3-carbamoyl-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl] methyl phosphono phosphate Traditional Name: phosphoric acid [(2R,3S,4R,5S)-5-(3-carbamoyl-2-keto-pyrazin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl] methyl phosphono ester Formula: C10H15N3O12P2 MolecularWeight: 431.186522

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(OC1C(C(C(O1)N2C=CN=C(C2=O)C(=O)N)O)O)OP(=O)(O)O

Isomeric SMILES

COP(=O)(O[C@@H]1[C@H]([C@H]([C@H](O1)N2C=CN=C(C2=O)C(=O)N)O)O)OP(=O)(O)O

InChI

InChI=1S/C10H15N3O12P2/c1-22-27(21,25-26(18,19)20)24-10-6(15)5(14)9(23-10)13-3-2-12-4(7(11)16)8(13)17/h2-3,5-6,9-10,14-15H,1H3,(H2,11,16)(H2,18,19,20)/t5-,6+,9+,10-,27?/m1/s1