ChemSpider 2D Image | 2-[(2S,3R)-3-(3,4-Dimethoxyphenyl)-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-trimethoxy-4H-chromen-4-one | C30H30O10

2-[(2S,3R)-3-(3,4-Dimethoxyphenyl)-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-trimethoxy-4H-chromen-4-one

  • Molecular FormulaC30H30O10
  • Average mass550.553 Da
  • Monoisotopic mass550.183899 Da
  • ChemSpider ID1363793

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(2S,3R)-3-(3,4-Dimethoxyphenyl)-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-trimethoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[(2S,3R)-3-(3,4-Dimethoxyphenyl)-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-trimethoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-[(2S,3R)-3-(3,4-Diméthoxyphényl)-2-(méthoxyméthyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,5,7-triméthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[(2S,3R)-3-(3,4-dimethoxyphenyl)-2,3-dihydro-2-(methoxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trimethoxy- [ACD/Index Name]

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

ZINC02048848 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 296.6±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 281.49
ACD/KOC (pH 5.5): 1972.12
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 281.49
ACD/KOC (pH 7.4): 1972.12
Polar Surface Area: 100 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

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