ChemSpider 2D Image | (2S)-6-Hydroxy-5,7,8-trimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one | C18H18O6

(2S)-6-Hydroxy-5,7,8-trimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O6
  • Average mass330.332 Da
  • Monoisotopic mass330.110352 Da
  • ChemSpider ID29361460
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-6-Hydroxy-5,7,8-trimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-6-Hydroxy-5,7,8-trimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-6-Hydroxy-5,7,8-triméthoxy-2-phényl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-6-hydroxy-5,7,8-trimethoxy-2-phenyl-, (2S)- [ACD/Index Name]
(S)-6-hydroxy-5,7,8-trimethoxy-2-phenylchroman-4-one
[4431-42-9]
17-Epidrevogenin A
4431-42-9 [RN]
Isopedicin
MFCD23103659

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 202.8±23.6 °C
Index of Refraction: 1.584
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.14
ACD/KOC (pH 5.5): 676.46
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.15
ACD/KOC (pH 7.4): 665.90
Polar Surface Area: 74 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 258.4±3.0 cm3

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