[(2S,3R,5S)-5-[2-[[(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-6-oxidanylidene-3H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2S,3R,5S)-5-[2-[[(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-6-oxidanylidene-3H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2S,3R,5S)-3-hydroxy-5-[2-[[(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2S,3R,5S)-3-hydroxy-5-[2-[[(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2S,3R,5S)-3-hydroxy-5-[2-[[(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-6-oxo-3H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2S,3R,5S)-3-hydroxy-5-[6-keto-2-[[(1S)-7-methylol-2,3-dihydro-1H-pyrrolizin-1-yl]amino]-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C18H23N6O8P MolecularWeight: 482.384381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CC(=C2C1NC3=NC(=O)C4=C(N3)N(C=N4)C5CC(C(O5)COP(=O)(O)O)O)CO

Isomeric SMILES

C1CN2C=CC(=C2[C@H]1NC3=NC(=O)C4=C(N3)N(C=N4)[C@@H]5C[C@H]([C@@H](O5)COP(=O)(O)O)O)CO

InChI

InChI=1S/C18H23N6O8P/c25-6-9-1-3-23-4-2-10(15(9)23)20-18-21-16-14(17(27)22-18)19-8-24(16)13-5-11(26)12(32-13)7-31-33(28,29)30/h1,3,8,10-13,25-26H,2,4-7H2,(H2,28,29,30)(H2,20,21,22,27)/t10-,11+,12-,13-/m0/s1