ChemSpider 2D Image | (3S)-3-Hydroxy-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone | C20H22O7

(3S)-3-Hydroxy-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID78429737

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-Hydroxy-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S)-3-Hydroxy-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S)-3-Hydroxy-3,4-bis(4-hydroxy-3-méthoxybenzyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 217.3±23.6 °C
Index of Refraction: 1.630
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.02
ACD/KOC (pH 5.5): 94.22
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.00
ACD/KOC (pH 7.4): 93.76
Polar Surface Area: 105 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 273.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement