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

C9H22N3O5P13 — CID 23559896

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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 23559896) has the molecular formula C9H22N3O5P13 and a molecular weight of 654.95 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-amino-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-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
• PubChem CID: 23559896
• Molecular Formula: C9H22N3O5P13
• Molecular Weight: 654.95 g/mol
• Exact Mass: 654.81
• IUPAC Name: [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
• SMILES: Nc1cc([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/C9H22N3O5P13/c10-4-3-7(12(15)16)5-1-2-6(11(5)8(4)13)9(14)17-25(29(24)26(18)19)30(27(20)21)28(22)23/h3,6H,1-2,10,18-24H2
• InChIKey: XVYYICSHCWASLG-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 117.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.95
LogP ≤ 5	7.28
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-amino-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-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 23559896) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-amino-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-amino-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-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is Nc1cc([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-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?

The InChIKey is XVYYICSHCWASLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N3O5P13/c10-4-3-7(12(15)16)5-1-2-6(11(5)8(4)13)9(14)17-25(29(24)26(18)19)30(27(20)21)28(22)23/h3,6H,1-2,10,18-24H2.

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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 654.95 g/mol, XLogP of 7.28, 8 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-amino-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 23559896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).