ChemSpider 2D Image | iFit-FL | C63H64N2O15

iFit-FL

  • Molecular FormulaC63H64N2O15
  • Average mass1089.187 Da
  • Monoisotopic mass1088.430664 Da
  • ChemSpider ID32779484

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1R)-2-Cyclohexen-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinyl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3 H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1R)-2-Cyclohexen-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinyl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3 H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(2S)-2-[(1R)-2-cyclohexen-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]-, (1R)-1-[3-[2-[[[9-(2-carboxyphenyl)-6-hydroxy-3-oxo-3H-xanthen-5-yl]methyl]amino]-2-oxoethoxy]phenyl ]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)- [ACD/Index Name]
Acide 2-(5-{[(2-{3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1R)-2-cyclohexén-1-yl]-2-(3,4,5-triméthoxyphényl)acétyl]-2-pipéridinyl}carbonyl)oxy]-3-(3,4-diméthoxyphényl)propyl]phénoxy}acétyl)amino]méthyl}-6-hydroxy -3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
iFit-FL

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 294.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 60921.69
ACD/KOC (pH 5.5): 30307.31
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 2850.23
ACD/KOC (pH 7.4): 1417.93
Polar Surface Area: 215 Å2
Polarizability: 116.6±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 790.1±5.0 cm3

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