[(2R,3S)-5-formamido-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [(2R,3S)-5-formamido-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [(2R,3S)-5-formamido-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [(2R,3S)-5-formamido-2-(phosphonooxymethyl)-3-oxolanyl] [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [(2R,3S)-5-formamido-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(2R,3S)-5-formamido-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C16H23N5O13P2 MolecularWeight: 555.327042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC=NC3=O)COP(=O)(O)OC4CC(OC4COP(=O)(O)O)NC=O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)COP(=O)(O)O[C@H]4CC(O[C@@H]4COP(=O)(O)O)NC=O)O

InChI

InChI=1S/C16H23N5O13P2/c22-7-20-12-2-9(11(32-12)4-30-35(25,26)27)34-36(28,29)31-3-10-8(23)1-13(33-10)21-6-19-14-15(21)17-5-18-16(14)24/h5-13,23H,1-4H2,(H,20,22)(H,28,29)(H,17,18,24)(H2,25,26,27)/t8-,9-,10+,11+,12?,13+/m0/s1