ChemSpider 2D Image | 2-(Benzyloxy)-1-{(3S,4S)-4-{3-[2-(4-biphenylyl)ethoxy]-4-methoxyphenyl}-3-[(1R)-1-hydroxyethyl]-3-methyl-1-pyrrolidinyl}ethanone | C37H41NO5

2-(Benzyloxy)-1-{(3S,4S)-4-{3-[2-(4-biphenylyl)ethoxy]-4-methoxyphenyl}-3-[(1R)-1-hydroxyethyl]-3-methyl-1-pyrrolidinyl}ethanone

  • Molecular FormulaC37H41NO5
  • Average mass579.725 Da
  • Monoisotopic mass579.298462 Da
  • ChemSpider ID8328646

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-(Benzyloxy)-1-{(3S,4S)-4-{3-[2-(4-biphenylyl)ethoxy]-4-methoxyphenyl}-3-[(1R)-1-hydroxyethyl]-3-methyl-1-pyrrolidinyl}ethanon [German] [ACD/IUPAC Name]
2-(Benzyloxy)-1-{(3S,4S)-4-{3-[2-(4-biphenylyl)ethoxy]-4-methoxyphenyl}-3-[(1R)-1-hydroxyethyl]-3-methyl-1-pyrrolidinyl}ethanone [ACD/IUPAC Name]
2-(Benzyloxy)-1-{(3S,4S)-4-{3-[2-(4-biphénylyl)éthoxy]-4-méthoxyphényl}-3-[(1R)-1-hydroxyéthyl]-3-méthyl-1-pyrrolidinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3S,4S)-4-[3-(2-[1,1'-biphenyl]-4-ylethoxy)-4-methoxyphenyl]-3-[(1R)-1-hydroxyethyl]-3-methyl-1-pyrrolidinyl]-2-(phenylmethoxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 169.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 56029.21
ACD/KOC (pH 5.5): 87195.98
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 56029.21
ACD/KOC (pH 7.4): 87195.98
Polar Surface Area: 68 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 500.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement