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

C10H24N3O5P13 — CID 59975153

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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975153) has the molecular formula C10H24N3O5P13 and a molecular weight of 668.98 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

• Compound Name: [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
• PubChem CID: 59975153
• Molecular Formula: C10H24N3O5P13
• Molecular Weight: 668.98 g/mol
• Exact Mass: 668.83
• IUPAC Name: [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
• SMILES: CNc1cc([N+](=O)[O-])c2n(c1=O)C(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)CC2
• InChI: InChI=1S/C10H24N3O5P13/c1-11-5-4-8(13(16)17)6-2-3-7(12(6)9(5)14)10(15)18-26(30(25)27(19)20)31(28(21)22)29(23)24/h4,7,11H,2-3,19-25H2,1H3
• InChIKey: MGASMHISOUUDEE-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 103.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.98
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'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] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?

The IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975153) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-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] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?

The canonical SMILES for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CNc1cc([N+](=O)[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] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?

The InChIKey is MGASMHISOUUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N3O5P13/c1-11-5-4-8(13(16)17)6-2-3-7(12(6)9(5)14)10(15)18-26(30(25)27(19)20)31(28(21)22)29(23)24/h4,7,11H,2-3,19-25H2,1H3.

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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 668.98 g/mol, XLogP of 7.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).