disodium [(2R,3S,4S,5R)-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate

Systemtic Name: disodium [(2R,3S,4S,5R)-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: disodium [(2R,3S,4S,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: disodium [(2R,3S,4S,5R)-5-(2,6-diamino-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: disodium [(2R,3S,4S,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: disodium [(2R,3S,4S,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C10H13N6Na2O7P MolecularWeight: 406.199521

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N=C(N=C2N)N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N=C(N=C2N)N.[Na+].[Na+]

InChI

InChI=1S/C10H15N6O7P.2Na/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,17-18H,1H2,(H2,19,20,21)(H4,11,12,14,15);;/q;2*+1/p-2/t3-,5-,6+,9-;;/m1../s1