[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-azido-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-azido-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-azido-3-hydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C9H14N6O10P2 MolecularWeight: 428.189182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)N=[N+]=[N-]

Isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C9H14N6O10P2/c10-5-1-2-15(9(17)12-5)8-6(13-14-11)7(16)4(24-8)3-23-27(21,22)25-26(18,19)20/h1-2,4,6-8,16H,3H2,(H,21,22)(H2,10,12,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1