ChemSpider 2D Image | 5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-buten-1-yl)-5-(4-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxy-4H-chromen-4-one | C27H32O9

5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-buten-1-yl)-5-(4-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxy-4H-chromen-4-one

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID28518885

More details:






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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-buten-1-yl)-5-(4-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxy- [ACD/Index Name]
5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-buten-1-yl)-5-(4-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-buten-1-yl)-5-(4-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxy-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-méthyl-3-butén-1-yl)-5-(4-hydroxy-3-méthylbutyl)phényl]-3,6-diméthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
[1372527-25-7]
1372527-25-7 [RN]
dodovicin A
Dodoviscin A
MFCD25973153

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 255.6±26.4 °C
Index of Refraction: 1.640
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 125.62
ACD/KOC (pH 5.5): 1042.91
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 5.54
ACD/KOC (pH 7.4): 45.98
Polar Surface Area: 146 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 363.2±5.0 cm3

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