ChemSpider 2D Image | (3S,4S)-4-[(R)-Hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone | C20H22O7

(3S,4S)-4-[(R)-Hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID77417385

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4S)-4-[(R)-Hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4S)-4-[(R)-Hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4S)-4-[(R)-Hydroxy(4-hydroxy-3-méthoxyphényl)méthyl]-3-(4-hydroxy-3-méthoxybenzyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-4-[(R)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)- [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: 634.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 227.0±25.0 °C
Index of Refraction: 1.622
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 77.11
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 76.73
Polar Surface Area: 105 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 276.0±3.0 cm3

Click to predict properties on the Chemicalize site


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