ChemSpider 2D Image | (5R)-3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanone | C28H26O9

(5R)-3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanone

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID24812908
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5R)-3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(3,4,5-trimethoxybenzyl)-2(5H)-furanone [ACD/IUPAC Name]
(5R)-3-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-(4-méthoxyphényl)-4-(3,4,5-triméthoxybenzyl)-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]-, (5R)- [ACD/Index Name]
ZINC13740974

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 242.5±26.4 °C
Index of Refraction: 1.623
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.29
ACD/KOC (pH 5.5): 859.87
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.87
ACD/KOC (pH 7.4): 836.33
Polar Surface Area: 102 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 374.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement