2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; phosphoric acid

Systemtic Name: 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; phosphoric acid Openeye Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; phosphoric acid CAS Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; phosphoric acid IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; phosphoric acid Traditional Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one; phosphoric acid Formula: C10H19N5O13P2 MolecularWeight: 479.231082

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C10H13N5O5.2H3O4P/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9;2*1-5(2,3)4/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19);2*(H3,1,2,3,4)/t3-,5-,6-,9-;;/m1../s1