[(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium

C23H28N7O13P2+ — CID 159875612

About [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium

[(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium (PubChem CID 159875612) has the molecular formula C23H28N7O13P2+ and a molecular weight of 672.46 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
• PubChem CID: 159875612
• Molecular Formula: C23H28N7O13P2+
• Molecular Weight: 672.46 g/mol
• Exact Mass: 672.12
• IUPAC Name: [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-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](C3=NCc4c(N)ccnc43)[C@H](O)[C@@H]2O[P+](=O)O)C(=O)C1
• InChI: InChI=1S/C23H27N7O13P2/c24-9-1-2-26-14-8(9)4-27-16(14)20-18(34)19(42-44(35)36)12(40-20)6-39-45(37,38)43-21-17(33)11(5-31)41-23(21)30-7-28-15-10(32)3-13(25)29-22(15)30/h1-2,7,11-12,17-21,23,31,33-34H,3-6H2,(H5-,24,25,26,29,32,35,36,37,38)/p+1/t11-,12-,17-,18-,19-,20+,21-,23-/m1/s1
• InChIKey: NVGTXWMGICRBPR-CBSMKMSQSA-O
• XLogP: -1.65
• TPSA: 305.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	672.46
LogP ≤ 5	-1.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?

The IUPAC name of [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium (CID 159875612) is [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium.

What is the SMILES notation for [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?

The canonical SMILES for [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-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](C3=NCc4c(N)ccnc43)[C@H](O)[C@@H]2O[P+](=O)O)C(=O)C1.

What is the InChIKey of [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?

The InChIKey is NVGTXWMGICRBPR-CBSMKMSQSA-O. The full InChI is InChI=1S/C23H27N7O13P2/c24-9-1-2-26-14-8(9)4-27-16(14)20-18(34)19(42-44(35)36)12(40-20)6-39-45(37,38)43-21-17(33)11(5-31)41-23(21)30-7-28-15-10(32)3-13(25)29-22(15)30/h1-2,7,11-12,17-21,23,31,33-34H,3-6H2,(H5-,24,25,26,29,32,35,36,37,38)/p+1/t11-,12-,17-,18-,19-,20+,21-,23-/m1/s1.

What are the key properties of [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?

[(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 672.46 g/mol, XLogP of -1.65, 10 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5S)-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]-5-(4-amino-5H-pyrrolo[3,4-b]pyridin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 159875612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).