ChemSpider 2D Image | (3R)-3-(1,3-Benzodioxol-5-ylmethyl)-3-hydroxy-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one | C20H20O8

(3R)-3-(1,3-Benzodioxol-5-ylmethyl)-3-hydroxy-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC20H20O8
  • Average mass388.368 Da
  • Monoisotopic mass388.115814 Da
  • ChemSpider ID30811310

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(1,3-Benzodioxol-5-ylmethyl)-3-hydroxy-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-3-(1,3-Benzodioxol-5-ylmethyl)-3-hydroxy-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-3-(1,3-Benzodioxol-5-ylméthyl)-3-hydroxy-5,6,7-triméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-3-hydroxy-5,6,7-trimethoxy-, (3R)- [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: 590.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 211.1±23.6 °C
Index of Refraction: 1.608
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.50
ACD/KOC (pH 5.5): 709.61
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.49
ACD/KOC (pH 7.4): 709.56
Polar Surface Area: 93 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 280.7±3.0 cm3

Click to predict properties on the Chemicalize site


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