ChemSpider 2D Image | 2-[(4S,5E)-5-[{2-[Benzyl(phenyl)ammonio]ethoxy}(oxido)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinyl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-olate | C34H38N3O7P

2-[(4S,5E)-5-[{2-[Benzyl(phenyl)ammonio]ethoxy}(oxido)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinyl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-olate

  • Molecular FormulaC34H38N3O7P
  • Average mass631.655 Da
  • Monoisotopic mass631.244751 Da
  • ChemSpider ID60959552

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3,2-Dioxaphosphorinanium, 2-[(4S,5E)-4,5-dihydro-5-[hydroxy[2-[phenyl(phenylmethyl)amino]ethoxy]methylene]-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinyl]-2-hydroxy-5,5-dimethyl-, inner salt [ACD/Index Name]
2-[(4S,5E)-5-[{2-[Benzyl(phenyl)ammonio]ethoxy}(oxido)methylen]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinyl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-olat [German] [ACD/IUPAC Name]
2-[(4S,5E)-5-[{2-[Benzyl(phenyl)ammonio]ethoxy}(oxido)methylene]-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinyl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-olate [ACD/IUPAC Name]
2-[(4S,5E)-5-[{2-[Benzyl(phényl)ammonio]éthoxy}(oxydo)méthylène]-2,6-diméthyl-4-(3-nitrophényl)-4,5-dihydro-3-pyridinyl]-5,5-diméthyl-1,3,2-dioxaphosphinan-2-ium-2-olate [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 136 Å2
Polarizability:
Surface Tension:
Molar Volume:

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