ChemSpider 2D Image | (2R,3S,4S)-1-(4-Biphenylylcarbamoyl)-4-hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl [(3R)-1-benzyl-3-pyrrolidinyl]carbamate | C37H40N4O5

(2R,3S,4S)-1-(4-Biphenylylcarbamoyl)-4-hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl [(3R)-1-benzyl-3-pyrrolidinyl]carbamate

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID23253161

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,4S)-1-(4-Biphenylylcarbamoyl)-4-hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl [(3R)-1-benzyl-3-pyrrolidinyl]carbamate [ACD/IUPAC Name]
(2R,3S,4S)-1-(4-Biphenylylcarbamoyl)-4-hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl-[(3R)-1-benzyl-3-pyrrolidinyl]carbamat [German] [ACD/IUPAC Name]
(2R,3S,4S)-1-(biphenyl-4-ylcarbamoyl)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl [(3R)-1-benzylpyrrolidin-3-yl]carbamate
[(3R)-1-Benzyl-3-pyrrolidinyl]carbamate de (2R,3S,4S)-1-(4-biphénylylcarbamoyl)-4-hydroxy-2-(4-méthoxybenzyl)-3-pyrrolidinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, (2R,3S,4S)-1-[([1,1'-biphenyl]-4-ylamino)carbonyl]-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl ester [ACD/Index Name]
((R)-1-Benzyl-pyrrolidin-3-yl)-carbamic acid (2R,3S,4S)-1-(biphenyl-4-ylcarbamoyl)-4-hydroxy-2-(4-methoxy-benzyl)-pyrrolidin-3-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 826.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 453.9±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 177.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 7.56
ACD/KOC (pH 5.5): 23.77
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 288.44
ACD/KOC (pH 7.4): 907.04
Polar Surface Area: 103 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 473.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement