[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C12H27N2O4P13 — CID 59975104

About [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975104) has the molecular formula C12H27N2O4P13 and a molecular weight of 666.02 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

• Compound Name: [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
• PubChem CID: 59975104
• Molecular Formula: C12H27N2O4P13
• Molecular Weight: 666.02 g/mol
• Exact Mass: 665.86
• IUPAC Name: [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
• SMILES: CNc1cc(C(C)=O)c2n(c1=O)C(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC2
• InChI: InChI=1S/C12H27N2O4P13/c1-6(15)7-5-8(13-2)11(16)14-9(7)3-4-10(14)12(17)18-26(30(25)27(19)20)31(28(21)22)29(23)24/h5,10,13H,3-4,19-25H2,1-2H3
• InChIKey: LLCLUVGLYGXIKL-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 77.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.02
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?

The IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975104) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

What is the SMILES notation for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?

The canonical SMILES for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CNc1cc(C(C)=O)c2n(c1=O)C(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC2.

What is the InChIKey of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?

The InChIKey is LLCLUVGLYGXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N2O4P13/c1-6(15)7-5-8(13-2)11(16)14-9(7)3-4-10(14)12(17)18-26(30(25)27(19)20)31(28(21)22)29(23)24/h5,10,13H,3-4,19-25H2,1-2H3.

What are the key properties of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 666.02 g/mol, XLogP of 8.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).