ChemSpider 2D Image | (1R)-3-(3,4-Dimethoxyphenyl)-1-(3-{2-[(2-{[(3-{(1S)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2R)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)acetyl]amino}ethyl)amino]-2- oxoethoxy}phenyl)propyl (2S)-1-[(2R)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinecarboxylate | C78H98N4O20

(1R)-3-(3,4-Dimethoxyphenyl)-1-(3-{2-[(2-{[(3-{(1S)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2R)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)acetyl]amino}ethyl)amino]-2- oxoethoxy}phenyl)propyl (2S)-1-[(2R)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinecarboxylate

  • Molecular FormulaC78H98N4O20
  • Average mass1411.627 Da
  • Monoisotopic mass1410.677490 Da
  • ChemSpider ID82963446

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R)-3-(3,4-Dimethoxyphenyl)-1-(3-{2-[(2-{[(3-{(1S)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2R)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)acetyl]amino}ethyl)amino]-2- oxoethoxy}phenyl)propyl (2S)-1-[(2R)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinecarboxylate [ACD/IUPAC Name]
(1R)-3-(3,4-Dimethoxyphenyl)-1-(3-{2-[(2-{[(3-{(1S)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2R)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinyl}carbonyl)oxy]propyl}phenoxy)acetyl]amino}ethyl)amino]-2- oxoethoxy}phenyl)propyl-(2S)-1-[(2R)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidincarboxylat [German] [ACD/IUPAC Name]
(2S)-1-[(2R)-2-(3,4,5-Triméthoxyphényl)butanoyl]-2-pipéridinecarboxylate de (1R)-3-(3,4-diméthoxyphényl)-1-(3-{2-[(2-{[2-(3-{(1S)-3-(3,4-diméthoxyphényl)-1-[({(2S)-1-[(2R)-2-(3,4,5-triméthoxyphényl)bu tanoyl]-2-pipéridinyl}carbonyl)oxy]propyl}phénoxy)acétyl]amino}éthyl)amino]-2-oxoéthoxy}phényl)propyle [French] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(2R)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, (1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[[2-[[2-[3-[(1S)-3-(3,4-dimethoxyphenyl)-1-[[[(2S)-1-[(2R)-1-oxo-2-(3,4,5-trimethoxyp henyl)butyl]-2-piperidinyl]carbonyl]oxy]propyl]phenoxy]acetyl]amino]ethyl]amino]-2-oxoethoxy]phenyl]propyl ester, (2S)- [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: 1307.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.3±3.0 kJ/mol
Flash Point: 744.5±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 381.4±0.3 cm3
#H bond acceptors: 24
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 10.39
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1492362.63
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1492361.00
Polar Surface Area: 262 Å2
Polarizability: 151.2±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 1169.4±3.0 cm3

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