[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium

C22H27N8O13P2+ — CID 159875610

About [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium

[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium (PubChem CID 159875610) has the molecular formula C22H27N8O13P2+ and a molecular weight of 673.45 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
• PubChem CID: 159875610
• Molecular Formula: C22H27N8O13P2+
• Molecular Weight: 673.45 g/mol
• Exact Mass: 673.12
• IUPAC Name: [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
• SMILES: NC1=Nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@@H](O)[C@@H]2O[P+](=O)O)C(=O)C1
• InChI: InChI=1S/C22H26N8O13P2/c23-8-1-2-25-19-13(8)26-6-29(19)21-16(34)17(42-44(35)36)11(41-21)5-39-45(37,38)43-18-15(33)10(4-31)40-22(18)30-7-27-14-9(32)3-12(24)28-20(14)30/h1-2,6-7,10-11,15-18,21-22,31,33-34H,3-5H2,(H5-,23,24,25,28,32,35,36,37,38)/p+1/t10-,11-,15-,16+,17-,18-,21-,22-/m1/s1
• InChIKey: QBIQYTSLOGVGBO-NVDBHPIRSA-O
• XLogP: -1.47
• TPSA: 311.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	673.45
LogP ≤ 5	-1.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?

The IUPAC name of [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium (CID 159875610) is [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium.

What is the SMILES notation for [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?

The canonical SMILES for [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium is NC1=Nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@@H](O)[C@@H]2O[P+](=O)O)C(=O)C1.

What is the InChIKey of [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?

The InChIKey is QBIQYTSLOGVGBO-NVDBHPIRSA-O. The full InChI is InChI=1S/C22H26N8O13P2/c23-8-1-2-25-19-13(8)26-6-29(19)21-16(34)17(42-44(35)36)11(41-21)5-39-45(37,38)43-18-15(33)10(4-31)40-22(18)30-7-27-14-9(32)3-12(24)28-20(14)30/h1-2,6-7,10-11,15-18,21-22,31,33-34H,3-5H2,(H5-,23,24,25,28,32,35,36,37,38)/p+1/t10-,11-,15-,16+,17-,18-,21-,22-/m1/s1.

What are the key properties of [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?

[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 673.45 g/mol, XLogP of -1.47, 10 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,4R,5R)-2-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 159875610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).