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

C9H21N2O6P13 — CID 23559898

IUPAC[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESO=C(OP(P(P)P(P)P)P(P(P)P)P(P)P)C1CCc2c([N+](=O)[O-])cc(O)c(=O)n21
InChIInChI=1S/C9H21N2O6P13/c12-7-3-6(11(15)16)4-1-2-5(10(4)8(7)13)9(14)17-25(29(24)26(18)19)30(27(20)21)28(22)23/h3,5,12H,1-2,18-24H2
InChIKeyPWLXVTQZBDCQOK-UHFFFAOYSA-N
MW655.94 g/mol
LogP7.40
Rot. Bonds8

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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 23559898) has the molecular formula C9H21N2O6P13 and a molecular weight of 655.94 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-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-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID23559898
Molecular FormulaC9H21N2O6P13
Molecular Weight655.94 g/mol
Exact Mass655.80
IUPAC Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESO=C(OP(P(P)P(P)P)P(P(P)P)P(P)P)C1CCc2c([N+](=O)[O-])cc(O)c(=O)n21
InChIInChI=1S/C9H21N2O6P13/c12-7-3-6(11(15)16)4-1-2-5(10(4)8(7)13)9(14)17-25(29(24)26(18)19)30(27(20)21)28(22)23/h3,5,12H,1-2,18-24H2
InChIKeyPWLXVTQZBDCQOK-UHFFFAOYSA-N
XLogP7.40
TPSA111.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.94
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-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-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 23559898) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-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-hydroxy-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-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is O=C(OP(P(P)P(P)P)P(P(P)P)P(P)P)C1CCc2c([N+](=O)[O-])cc(O)c(=O)n21.
What is the InChIKey of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is PWLXVTQZBDCQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O6P13/c12-7-3-6(11(15)16)4-1-2-5(10(4)8(7)13)9(14)17-25(29(24)26(18)19)30(27(20)21)28(22)23/h3,5,12H,1-2,18-24H2.
What are the key properties of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 655.94 g/mol, XLogP of 7.40, 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-hydroxy-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 23559898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).