diazanium [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]boron(1-)

Systemtic Name: diazanium [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]boron(1-) Openeye Name: diammonium [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]boron(1-) CAS Name: diammonium [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-oxidophosphoryl]boron(1-) IUPAC Name: diazanium [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]boron(1-) Traditional Name: diammonium [[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]boron(1-) Formula: C10H21BN4O7P MolecularWeight: 351.081101

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Descriptors Computed from Structure

Canonical SMILES:

[B-]P(=O)([O-])OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O.[NH4+].[NH4+]

Isomeric SMILES

[B-]P(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O.[NH4+].[NH4+]

InChI

InChI=1S/C10H14BN2O7P.2H3N/c1-5-3-13(10(16)12-9(5)15)8-2-6(14)7(20-8)4-19-21(11,17)18;;/h3,6-8,14H,2,4H2,1H3,(H,17,18)(H,12,15,16);2*1H3/q-1;;/p+1/t6-,7+,8+;;/m0../s1