ChemSpider 2D Image | (3-{(1R)-3-(3,4-Dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)acetic acid | C38H47NO11

(3-{(1R)-3-(3,4-Dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)acetic acid

  • Molecular FormulaC38H47NO11
  • Average mass693.780 Da
  • Monoisotopic mass693.314941 Da
  • ChemSpider ID392474

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-{(1R)-3-(3,4-Dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)acetic acid [ACD/IUPAC Name]
(3-{(1R)-3-(3,4-Dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)essigsäure [German] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, (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-[(2S)-2-(3,4,5-triméthoxyphényl)butanoyl]-2-pipéridinyl}carbonyl)oxy]propyl}phénoxy)acétique [French] [ACD/IUPAC Name]
{3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic acid
195514-23-9 [RN]
2-[3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid
AHI
AP 1867
AP1
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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: 814.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.2±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 185.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 12.14
ACD/KOC (pH 5.5): 44.88
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.30
Polar Surface Area: 139 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 571.2±3.0 cm3

Click to predict properties on the Chemicalize site


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