ChemSpider 2D Image | (2R,3R)-2-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)-1,4-butanediyl diacetate | C27H36O9

(2R,3R)-2-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)-1,4-butanediyl diacetate

  • Molecular FormulaC27H36O9
  • Average mass504.569 Da
  • Monoisotopic mass504.235931 Da
  • ChemSpider ID8704914

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)-1,4-butandiyl-diacetat [German] [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)-1,4-butanediyl diacetate [ACD/IUPAC Name]
1,4-Butanediol, 2-[(3,4-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-, diacetate, (2R,3R)- [ACD/Index Name]
Diacétate de (2R,3R)-2-(3,4-diméthoxybenzyl)-3-(3,4,5-triméthoxybenzyl)-1,4-butanediyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 258.3±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 427.98
ACD/KOC (pH 5.5): 2661.79
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 427.98
ACD/KOC (pH 7.4): 2661.79
Polar Surface Area: 99 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 442.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement