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

C11H24NO5P13 — CID 23559902

IUPAC[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCC(=O)c1cc(O)c(=O)n2c1CCC2C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C11H24NO5P13/c1-5(13)6-4-9(14)10(15)12-7(6)2-3-8(12)11(16)17-25(29(24)26(18)19)30(27(20)21)28(22)23/h4,8,14H,2-3,18-24H2,1H3
InChIKeyHDOFPLBROKCZQB-UHFFFAOYSA-N
MW652.98 g/mol
LogP7.70
Rot. Bonds8

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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 23559902) has the molecular formula C11H24NO5P13 and a molecular weight of 652.98 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-hydroxy-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-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID23559902
Molecular FormulaC11H24NO5P13
Molecular Weight652.98 g/mol
Exact Mass652.82
IUPAC Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCC(=O)c1cc(O)c(=O)n2c1CCC2C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C11H24NO5P13/c1-5(13)6-4-9(14)10(15)12-7(6)2-3-8(12)11(16)17-25(29(24)26(18)19)30(27(20)21)28(22)23/h4,8,14H,2-3,18-24H2,1H3
InChIKeyHDOFPLBROKCZQB-UHFFFAOYSA-N
XLogP7.70
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.98
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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] 8-acetyl-6-hydroxy-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-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 23559902) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-hydroxy-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-hydroxy-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-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is CC(=O)c1cc(O)c(=O)n2c1CCC2C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is HDOFPLBROKCZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO5P13/c1-5(13)6-4-9(14)10(15)12-7(6)2-3-8(12)11(16)17-25(29(24)26(18)19)30(27(20)21)28(22)23/h4,8,14H,2-3,18-24H2,1H3.
What are the key properties of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 652.98 g/mol, XLogP of 7.70, 8 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-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 23559902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).