[(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate

C58H79ClN23O35P5 — CID 159873761

About [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 159873761) has the molecular formula C58H79ClN23O35P5 and a molecular weight of 1848.72 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate
• PubChem CID: 159873761
• Molecular Formula: C58H79ClN23O35P5
• Molecular Weight: 1848.72 g/mol
• Exact Mass: 1847.35
• IUPAC Name: [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate
• SMILES: CNc1cc(C)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.CNc1ccnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ccnc32)[C@H](O)[C@@H]1O.[H]/N=c1/c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2ncn1C.[N-]=[N+]=Nc1nc2c(N)ccnc2n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C13H19N4O7P.C12H17N4O7P.C11H13ClN3O7P.C11H14N7O7P.C11H16N5O7P/c1-6-3-7(14-2)9-12(16-6)17(5-15-9)13-11(19)10(18)8(24-13)4-23-25(20,21)22;1-13-6-2-3-14-11-8(6)15-5-16(11)12-10(18)9(17)7(23-12)4-22-24(19,20)21;12-5-1-2-13-10-7(5)14-4-15(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20;12-4-1-2-14-9-6(4)15-11(16-17-13)18(9)10-8(20)7(19)5(25-10)3-24-26(21,22)23;1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,8,10-11,13,18-19H,4H2,1-2H3,(H,14,16)(H2,20,21,22);2-3,5,7,9-10,12,17-18H,4H2,1H3,(H,13,14)(H2,19,20,21);1-2,4,6,8-9,11,16-17H,3H2,(H2,18,19,20);1-2,5,7-8,10,19-20H,3H2,(H2,12,14)(H2,21,22,23);3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b;;;;12-9-/t8-,10-,11-,13-;7-,9-,10-,12-;6-,8-,9-,11-;5-,7-,8-,10-;5-,7-,8-,11-/m11111/s1
• InChIKey: NSQHXJBHIBYQLC-VKYLAGBPSA-N
• XLogP: -3.81
• TPSA: 863.42 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 46
• Rotatable Bonds: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.72
LogP ≤ 5	-3.81
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate?

The IUPAC name of [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate (CID 159873761) is [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate.

What is the SMILES notation for [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate?

The canonical SMILES for [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate is CNc1cc(C)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.CNc1ccnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ccnc32)[C@H](O)[C@@H]1O.[H]/N=c1/c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2ncn1C.[N-]=[N+]=Nc1nc2c(N)ccnc2n1[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-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate?

The InChIKey is NSQHXJBHIBYQLC-VKYLAGBPSA-N. The full InChI is InChI=1S/C13H19N4O7P.C12H17N4O7P.C11H13ClN3O7P.C11H14N7O7P.C11H16N5O7P/c1-6-3-7(14-2)9-12(16-6)17(5-15-9)13-11(19)10(18)8(24-13)4-23-25(20,21)22;1-13-6-2-3-14-11-8(6)15-5-16(11)12-10(18)9(17)7(23-12)4-22-24(19,20)21;12-5-1-2-13-10-7(5)14-4-15(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20;12-4-1-2-14-9-6(4)15-11(16-17-13)18(9)10-8(20)7(19)5(25-10)3-24-26(21,22)23;1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,8,10-11,13,18-19H,4H2,1-2H3,(H,14,16)(H2,20,21,22);2-3,5,7,9-10,12,17-18H,4H2,1H3,(H,13,14)(H2,19,20,21);1-2,4,6,8-9,11,16-17H,3H2,(H2,18,19,20);1-2,5,7-8,10,19-20H,3H2,(H2,12,14)(H2,21,22,23);3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b;;;;12-9-/t8-,10-,11-,13-;7-,9-,10-,12-;6-,8-,9-,11-;5-,7-,8-,10-;5-,7-,8-,11-/m11111/s1.

What are the key properties of [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate?

[(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 1848.72 g/mol, XLogP of -3.81, 23 rotatable bonds, 24 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-(7-amino-2-azidoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-5-(7-chloroimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-methyl-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 159873761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).