[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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

C22H49N3O9P26 — CID 91137158

IUPAC[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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
SMILESCC(=O)c1cc(N)c(=O)n2c1CCC2C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P.CC(=O)c1cc(O)c(=O)n2c1CCC2C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C11H25N2O4P13.C11H24NO5P13/c1-5(14)6-4-7(12)10(15)13-8(6)2-3-9(13)11(16)17-25(29(24)26(18)19)30(27(20)21)28(22)23;1-5(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/h4,9H,2-3,12,18-24H2,1H3;4,8,14H,2-3,18-24H2,1H3
InChIKeyBNQLLMPJAUFVHG-UHFFFAOYSA-N
MW1304.97 g/mol
LogP15.27
Rot. Bonds16

About [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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 91137158) has the molecular formula C22H49N3O9P26 and a molecular weight of 1304.97 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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.

Molecular Properties

Compound Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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 CID91137158
Molecular FormulaC22H49N3O9P26
Molecular Weight1304.97 g/mol
Exact Mass1304.66
IUPAC Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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
SMILESCC(=O)c1cc(N)c(=O)n2c1CCC2C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P.CC(=O)c1cc(O)c(=O)n2c1CCC2C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C11H25N2O4P13.C11H24NO5P13/c1-5(14)6-4-7(12)10(15)13-8(6)2-3-9(13)11(16)17-25(29(24)26(18)19)30(27(20)21)28(22)23;1-5(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/h4,9H,2-3,12,18-24H2,1H3;4,8,14H,2-3,18-24H2,1H3
InChIKeyBNQLLMPJAUFVHG-UHFFFAOYSA-N
XLogP15.27
TPSA176.99 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001304.97
LogP ≤ 515.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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 with MolForge

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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-amino-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?
The IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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 (CID 91137158) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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.
What is the SMILES notation for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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?
The canonical SMILES for [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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 is CC(=O)c1cc(N)c(=O)n2c1CCC2C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P.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-amino-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?
The InChIKey is BNQLLMPJAUFVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O4P13.C11H24NO5P13/c1-5(14)6-4-7(12)10(15)13-8(6)2-3-9(13)11(16)17-25(29(24)26(18)19)30(27(20)21)28(22)23;1-5(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/h4,9H,2-3,12,18-24H2,1H3;4,8,14H,2-3,18-24H2,1H3.
What are the key properties of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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?
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 8-acetyl-6-amino-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 1304.97 g/mol, XLogP of 15.27, 16 rotatable bonds, 2 hydrogen bond donors, and 12 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-amino-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 is sourced from PubChem (CID 91137158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).