ChemSpider 2D Image | 2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl (4R)-5-[(4S,6S)-4,6-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate | C38H45N4O7P

2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl (4R)-5-[(4S,6S)-4,6-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC38H45N4O7P
  • Average mass700.760 Da
  • Monoisotopic mass700.302612 Da
  • ChemSpider ID8185520
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4R)-5-[(4S,6S)-4,6-Diméthyl-2-oxydo-1,3,2-dioxaphosphinan-2-yl]-2,6-diméthyl-4-(3-nitrophényl)-1,4-dihydro-3-pyridinecarboxylate de 2-[4-(diphénylméthyl)-1-pipérazinyl]éthyle [French] [ACD/IUPAC Name]
2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl (4R)-5-[(4S,6S)-4,6-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl-(4R)-5-[(4S,6S)-4,6-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 5-[(4S,6S)-4,6-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl]-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl ester, (4R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 776.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.2±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 191.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 855.68
ACD/KOC (pH 5.5): 2421.83
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6278.66
ACD/KOC (pH 7.4): 17770.44
Polar Surface Area: 136 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 535.9±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement