[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate

C12H29N2O4P13 — CID 59975113

IUPAC[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
SMILESCNC1CC(C(C)=O)=C2CCC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)N2C1=O
InChIInChI=1S/C12H29N2O4P13/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/h8,10,13H,3-5,19-25H2,1-2H3
InChIKeyYOSQLYJOESEUJT-UHFFFAOYSA-N
MW668.04 g/mol
LogP7.27
Rot. Bonds9

About [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate (PubChem CID 59975113) has the molecular formula C12H29N2O4P13 and a molecular weight of 668.04 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
PubChem CID59975113
Molecular FormulaC12H29N2O4P13
Molecular Weight668.04 g/mol
Exact Mass667.87
IUPAC Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
SMILESCNC1CC(C(C)=O)=C2CCC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)N2C1=O
InChIInChI=1S/C12H29N2O4P13/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/h8,10,13H,3-5,19-25H2,1-2H3
InChIKeyYOSQLYJOESEUJT-UHFFFAOYSA-N
XLogP7.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.04
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
The IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate (CID 59975113) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-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-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
The canonical SMILES for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate is CNC1CC(C(C)=O)=C2CCC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)N2C1=O.
What is the InChIKey of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
The InChIKey is YOSQLYJOESEUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N2O4P13/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/h8,10,13H,3-5,19-25H2,1-2H3.
What are the key properties of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-(methylamino)-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate has a molecular weight of 668.04 g/mol, XLogP of 7.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).