[[5-(6-azanyl-7H-purin-3-ium-3-yl)-3,4-dimethoxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [[5-(6-azanyl-7H-purin-3-ium-3-yl)-3,4-dimethoxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [[5-(6-amino-7H-purin-3-ium-3-yl)-3,4-dimethoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [[5-(6-amino-7H-purin-3-ium-3-yl)-3,4-dimethoxy-2-oxolanyl]methoxy-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [[5-(6-amino-7H-purin-3-ium-3-yl)-3,4-dimethoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [[5-(6-amino-7H-purin-3-ium-3-yl)-3,4-dimethoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid Formula: C13H22N5O9P2+ MolecularWeight: 454.289402

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(OC(C1OC)[N+]2=C3C(=C(N=C2)N)NC=N3)COP(=O)(CP(=O)(O)O)O

Isomeric SMILES

COC1C(OC(C1OC)[N+]2=C3C(=C(N=C2)N)NC=N3)COP(=O)(CP(=O)(O)O)O

InChI

InChI=1S/C13H21N5O9P2/c1-24-9-7(3-26-29(22,23)6-28(19,20)21)27-13(10(9)25-2)18-5-17-11(14)8-12(18)16-4-15-8/h4-5,7,9-10,13H,3,6H2,1-2H3,(H5,14,15,16,19,20,21,22,23)/p+1