ChemSpider 2D Image | AM-8553 | C25H29Cl2NO4

AM-8553

  • Molecular FormulaC25H29Cl2NO4
  • Average mass478.408 Da
  • Monoisotopic mass477.147369 Da
  • ChemSpider ID28185182

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxy-3-pentanyl]-3-methyl-2-oxo-3-piperidinyl}acetic acid [ACD/IUPAC Name]
{(3r,5r,6s)-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-1-[(2s,3s)-2-Hydroxypentan-3-Yl]-3-Methyl-2-Oxopiperidin-3-Yl}acetic Acid
{(3R,5R,6S)-5-(3-Chlorphenyl)-6-(4-chlorphenyl)-1-[(2S,3S)-2-hydroxy-3-pentanyl]-3-methyl-2-oxo-3-piperidinyl}essigsäure [German] [ACD/IUPAC Name]
3-Piperidineacetic acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-3-methyl-2-oxo-, (3R,5R,6S)- [ACD/Index Name]
Acide {(3R,5R,6S)-5-(3-chlorophényl)-6-(4-chlorophényl)-1-[(2S,3S)-2-hydroxy-3-pentanyl]-3-méthyl-2-oxo-3-pipéridinyl}acétique [French] [ACD/IUPAC Name]
AM-8553
0R3
1352064-70-0 [RN]
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl]acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 215.46
ACD/KOC (pH 5.5): 725.32
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 3.53
ACD/KOC (pH 7.4): 11.88
Polar Surface Area: 78 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 379.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement