1-[(2S,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]propyl dihydrogen phosphate

Systemtic Name: 1-[(2S,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]propyl dihydrogen phosphate Openeye Name: 1-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]propyl dihydrogen phosphate CAS Name: 1-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]propyl dihydrogen phosphate IUPAC Name: 1-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propyl dihydrogen phosphate Traditional Name: 1-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]propyl dihydrogen phosphate Formula: C12H17N4O8P MolecularWeight: 376.259141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O)OP(=O)(O)O

Isomeric SMILES

CCC([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC=NC3=O)O)O)OP(=O)(O)O

InChI

InChI=1S/C12H17N4O8P/c1-2-5(24-25(20,21)22)9-7(17)8(18)12(23-9)16-4-15-6-10(16)13-3-14-11(6)19/h3-5,7-9,12,17-18H,2H2,1H3,(H,13,14,19)(H2,20,21,22)/t5?,7-,8+,9+,12+/m0/s1