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

Systemtic Name: [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1-prop-2-ynyl-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1-prop-2-ynyl-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1-prop-2-ynyl-9-purinyl)-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1-prop-2-ynylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-keto-1-propargyl-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C13H15N4O8P MolecularWeight: 386.253961

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C(C1=O)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

Isomeric SMILES

C#CCN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C13H15N4O8P/c1-2-3-16-5-15-11-8(12(16)20)14-6-17(11)13-10(19)9(18)7(25-13)4-24-26(21,22)23/h1,5-7,9-10,13,18-19H,3-4H2,(H2,21,22,23)/t7-,9-,10-,13-/m1/s1