ChemSpider 2D Image | 1,2,3-Propanetriyl (2E,2'E,2''E)tris[3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate] | C36H38O15

1,2,3-Propanetriyl (2E,2'E,2''E)tris[3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate]

  • Molecular FormulaC36H38O15
  • Average mass710.678 Da
  • Monoisotopic mass710.221069 Da
  • ChemSpider ID4476503
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E,2'E,2''E)Tris[3-(4-hydroxy-3,5-diméthoxyphényl)acrylate] de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
1,2,3-Propanetriyl (2E,2'E,2''E)tris[3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate] [ACD/IUPAC Name]
1,2,3-Propantriyl-(2E,2'E,2''E)tris[3-(4-hydroxy-3,5-dimethoxyphenyl)acrylat] [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, 1,2,3-propanetriyl ester, (2E,2'E,2''E)- [ACD/Index Name]
1,3-bis({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})propan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Glycerol trisinapate
hmdb
Tri-O-sinapoylglycerol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 801.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 244.1±27.8 °C
Index of Refraction: 1.619
Molar Refractivity: 187.2±0.3 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.20
ACD/KOC (pH 5.5): 914.44
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 94.87
ACD/KOC (pH 7.4): 901.80
Polar Surface Area: 195 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 533.8±3.0 cm3

Click to predict properties on the Chemicalize site






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