ChemSpider 2D Image | {3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinyl]carbonyl}oxy)propyl]phenoxy}acetic acid | C32H41NO9

{3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinyl]carbonyl}oxy)propyl]phenoxy}acetic acid

  • Molecular FormulaC32H41NO9
  • Average mass583.669 Da
  • Monoisotopic mass583.278137 Da
  • ChemSpider ID8546510

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinyl]carbonyl}oxy)propyl]phenoxy}acetic acid [ACD/IUPAC Name]
{3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinyl]carbonyl}oxy)propyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R)-1-[3-(carboxymethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)- [ACD/Index Name]
Acide {3-[(1R)-3-(3,4-diméthoxyphényl)-1-({[(2S)-1-(3,3-diméthyl-2-oxopentanoyl)-2-pipéridinyl]carbonyl}oxy)propyl]phénoxy}acétique [French] [ACD/IUPAC Name]
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1-(3-carboxymethoxy-phenyl)-3-(3,4-dimethoxy-phenyl)-propyl ester
178446-02-1 [RN]
2-(3-((R)-3-(3,4-Dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid
2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-,(1R)-1-[3-(carboxymethoxy)phenyl]-3-(3,4-dimethoxyphenyl)propylester, (2S)-
CHEMBL321022
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 704.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.9±35.7 °C
Index of Refraction: 1.550
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 4.63
ACD/KOC (pH 5.5): 22.52
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 129 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 484.4±3.0 cm3

Click to predict properties on the Chemicalize site


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