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

Systemtic Name: 2-azanyl-9-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one; phosphoric acid Openeye Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; phosphoric acid CAS Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; phosphoric acid IUPAC Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; phosphoric acid Traditional Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one; phosphoric acid Formula: C10H19N5O12P2 MolecularWeight: 463.231682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1[C@@H]([C@H](OC1N2C=NC3=C2NC(=NC3=O)N)CO)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C10H13N5O4.2H3O4P/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;2*1-5(2,3)4/h3-6,16-17H,1-2H2,(H3,11,13,14,18);2*(H3,1,2,3,4)/t4-,5+,6?;;/m0../s1