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

C10H26N3O5P13 — CID 59975160

IUPAC[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
SMILESCNC1CC([N+](=O)[O-])=C2CCC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)N2C1=O
InChIInChI=1S/C10H26N3O5P13/c1-11-5-4-8(13(16)17)6-2-3-7(12(6)9(5)14)10(15)18-26(30(25)27(19)20)31(28(21)22)29(23)24/h5,7,11H,2-4,19-25H2,1H3
InChIKeyWABOJZOSUVDPMC-UHFFFAOYSA-N
MW671.00 g/mol
LogP6.91
Rot. Bonds9

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

[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate (PubChem CID 59975160) has the molecular formula C10H26N3O5P13 and a molecular weight of 671.00 g/mol. Its IUPAC name is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-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] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
PubChem CID59975160
Molecular FormulaC10H26N3O5P13
Molecular Weight671.00 g/mol
Exact Mass670.85
IUPAC Name[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
SMILESCNC1CC([N+](=O)[O-])=C2CCC(C(=O)OP(P(P)P(P)P)P(P(P)P)P(P)P)N2C1=O
InChIInChI=1S/C10H26N3O5P13/c1-11-5-4-8(13(16)17)6-2-3-7(12(6)9(5)14)10(15)18-26(30(25)27(19)20)31(28(21)22)29(23)24/h5,7,11H,2-4,19-25H2,1H3
InChIKeyWABOJZOSUVDPMC-UHFFFAOYSA-N
XLogP6.91
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.00
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

[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
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975153
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl] 2-(methylamino)-4-nitrobutanoate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 5-methoxy-3,4-dihydro-2H-pyrrole-2-carboxylate;[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate
CID 91609761

Frequently Asked Questions

What is the IUPAC name of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-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] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate (CID 59975160) is [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-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] 6-(methylamino)-8-nitro-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] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate is CNC1CC([N+](=O)[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] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
The InChIKey is WABOJZOSUVDPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N3O5P13/c1-11-5-4-8(13(16)17)6-2-3-7(12(6)9(5)14)10(15)18-26(30(25)27(19)20)31(28(21)22)29(23)24/h5,7,11H,2-4,19-25H2,1H3.
What are the key properties of [bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate?
[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate has a molecular weight of 671.00 g/mol, XLogP of 6.91, 9 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] 6-(methylamino)-8-nitro-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).