ChemSpider 2D Image | (3S)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydro-2(3H)-furanone | C22H24O7

(3S)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydro-2(3H)-furanone

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID98608842

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S)-4-(1,3-Benzodioxol-5-ylméthyl)-3-(3,4,5-triméthoxybenzyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 246.2±28.8 °C
Index of Refraction: 1.577
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.49
ACD/KOC (pH 5.5): 812.01
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.49
ACD/KOC (pH 7.4): 812.01
Polar Surface Area: 72 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 316.0±3.0 cm3

Click to predict properties on the Chemicalize site


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