[(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate

C58H79N18O40P5 — CID 159985395

About [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 159985395) has the molecular formula C58H79N18O40P5 and a molecular weight of 1823.23 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
• PubChem CID: 159985395
• Molecular Formula: C58H79N18O40P5
• Molecular Weight: 1823.23 g/mol
• Exact Mass: 1822.34
• IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
• SMILES: COc1nc(C)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Cc1nc2c(c(=O)[nH]1)CC(=O)N2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Cn1c(N)nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O.Nc1ccnc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C1CC=Nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C12H17N4O8P.C12H16N3O9P.C12H16N3O7P.C11H16N5O8P.C11H14N3O8P/c1-5-14-10-7(11(15-5)22-2)13-4-16(10)12-9(18)8(17)6(24-12)3-23-25(19,20)21;1-4-13-10-5(11(19)14-4)2-7(16)15(10)12-9(18)8(17)6(24-12)3-23-25(20,21)22;13-7-1-3-14-11-6(7)2-4-15(11)12-10(17)9(16)8(22-12)5-21-23(18,19)20;1-15-9(19)5-8(14-11(15)12)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(20,21)22;15-5-1-2-12-10-7(5)13-4-14(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h4,6,8-9,12,17-18H,3H2,1-2H3,(H2,19,20,21);6,8-9,12,17-18H,2-3H2,1H3,(H,13,14,19)(H2,20,21,22);1-4,8-10,12,16-17H,5H2,(H2,13,14)(H2,18,19,20);3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14)(H2,20,21,22);2,4,6,8-9,11,16-17H,1,3H2,(H2,18,19,20)/t2*6-,8-,9-,12-;8-,9-,10-,12-;4-,6-,7-,10-;6-,8-,9-,11-/m11111/s1
• InChIKey: OGGQAGRAIPRBGV-PIBHECELSA-N
• XLogP: -7.92
• TPSA: 870.96 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 46
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1823.23
LogP ≤ 5	-7.92
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate?

The IUPAC name of [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate (CID 159985395) is [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate.

What is the SMILES notation for [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate?

The canonical SMILES for [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate is COc1nc(C)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Cc1nc2c(c(=O)[nH]1)CC(=O)N2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Cn1c(N)nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O.Nc1ccnc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C1CC=Nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.

What is the InChIKey of [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate?

The InChIKey is OGGQAGRAIPRBGV-PIBHECELSA-N. The full InChI is InChI=1S/C12H17N4O8P.C12H16N3O9P.C12H16N3O7P.C11H16N5O8P.C11H14N3O8P/c1-5-14-10-7(11(15-5)22-2)13-4-16(10)12-9(18)8(17)6(24-12)3-23-25(19,20)21;1-4-13-10-5(11(19)14-4)2-7(16)15(10)12-9(18)8(17)6(24-12)3-23-25(20,21)22;13-7-1-3-14-11-6(7)2-4-15(11)12-10(17)9(16)8(22-12)5-21-23(18,19)20;1-15-9(19)5-8(14-11(15)12)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(20,21)22;15-5-1-2-12-10-7(5)13-4-14(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h4,6,8-9,12,17-18H,3H2,1-2H3,(H2,19,20,21);6,8-9,12,17-18H,2-3H2,1H3,(H,13,14,19)(H2,20,21,22);1-4,8-10,12,16-17H,5H2,(H2,13,14)(H2,18,19,20);3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14)(H2,20,21,22);2,4,6,8-9,11,16-17H,1,3H2,(H2,18,19,20)/t2*6-,8-,9-,12-;8-,9-,10-,12-;4-,6-,7-,10-;6-,8-,9-,11-/m11111/s1.

What are the key properties of [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate?

[(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 1823.23 g/mol, XLogP of -7.92, 21 rotatable bonds, 23 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methoxy-2-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4,6-dioxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 159985395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).