[[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium)

C66H129N10O13P3 — CID 10772787

About [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium)

[[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium) (PubChem CID 10772787) has the molecular formula C66H129N10O13P3 and a molecular weight of 1363.74 g/mol. Its IUPAC name is [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium).

Molecular Properties

• Compound Name: [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium)
• PubChem CID: 10772787
• Molecular Formula: C66H129N10O13P3
• Molecular Weight: 1363.74 g/mol
• Exact Mass: 1362.90
• IUPAC Name: [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium)
• SMILES: CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.Nc1ccc(-c2cn3cnc4c(ncn4[C@@H]4O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]4O)c3n2)cc1
• InChI: InChI=1S/C18H21N6O13P3.4C12H27N/c19-10-3-1-9(2-4-10)11-5-23-7-21-16-13(17(23)22-11)20-8-24(16)18-15(26)14(25)12(35-18)6-34-39(30,31)37-40(32,33)36-38(27,28)29;4*1-4-7-10-13(11-8-5-2)12-9-6-3/h1-5,7-8,12,14-15,18,25-26H,6,19H2,(H,30,31)(H,32,33)(H2,27,28,29);4*4-12H2,1-3H3/t12-,14-,15-,18-;;;;/m1..../s1
• InChIKey: MAGQPIBBRKGNIR-LXGAUNIYSA-N
• XLogP: 6.85
• TPSA: 312.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 45
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1363.74
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium)?

The IUPAC name of [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium) (CID 10772787) is [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium).

What is the SMILES notation for [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium)?

The canonical SMILES for [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium) is CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.Nc1ccc(-c2cn3cnc4c(ncn4[C@@H]4O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]4O)c3n2)cc1.

What is the InChIKey of [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium)?

The InChIKey is MAGQPIBBRKGNIR-LXGAUNIYSA-N. The full InChI is InChI=1S/C18H21N6O13P3.4C12H27N/c19-10-3-1-9(2-4-10)11-5-23-7-21-16-13(17(23)22-11)20-8-24(16)18-15(26)14(25)12(35-18)6-34-39(30,31)37-40(32,33)36-38(27,28)29;4*1-4-7-10-13(11-8-5-2)12-9-6-3/h1-5,7-8,12,14-15,18,25-26H,6,19H2,(H,30,31)(H,32,33)(H2,27,28,29);4*4-12H2,1-3H3/t12-,14-,15-,18-;;;;/m1..../s1.

What are the key properties of [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium)?

[[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium) has a molecular weight of 1363.74 g/mol, XLogP of 6.85, 45 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [[[(2R,3S,4R,5R)-5-[8-(4-aminophenyl)imidazo[2,1-f]purin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;tetrakis(tributylazanium) is sourced from PubChem (CID 10772787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).