tetraazanium 2-[(2R,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]ethyl-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-phosphinate

Systemtic Name: tetraazanium 2-[(2R,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]ethyl-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-phosphinate Openeye Name: tetraammonium 2-[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl-[oxido(phosphonatooxy)phosphoryl]oxy-phosphinate CAS Name: tetraammonium 2-[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]ethyl-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate IUPAC Name: tetraazanium 2-[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate Traditional Name: tetraammonium 2-[(2R,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl-[oxido(phosphato)phosphoryl]oxy-phosphinate Formula: C11H30N9O12P3 MolecularWeight: 573.330283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CCP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])N=[N+]=[N-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])N=[N+]=[N-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C11H18N5O12P3.4H3N/c1-6-5-16(11(18)13-10(6)17)9-4-7(14-15-12)8(26-9)2-3-29(19,20)27-31(24,25)28-30(21,22)23;;;;/h5,7-9H,2-4H2,1H3,(H,19,20)(H,24,25)(H,13,17,18)(H2,21,22,23);4*1H3/t7-,8+,9+;;;;/m0..../s1