ChemSpider 2D Image | 5,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3-methoxy-4H-chromen-4-one | C26H30O7

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

  • Molecular FormulaC26H30O7
  • Average mass454.512 Da
  • Monoisotopic mass454.199158 Da
  • ChemSpider ID28519852

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-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3-methoxy- [ACD/Index Name]
5,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-méthylbutyl)-5-(3-méthyl-2-butén-1-yl)phényl]-3-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
[1372527-39-3] [RN]
1372527-39-3 [RN]
dodovicin H
Dodoviscin H
MFCD28100627

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 233.1±25.0 °C
Index of Refraction: 1.639
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2079.32
ACD/KOC (pH 5.5): 7787.44
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 94.04
ACD/KOC (pH 7.4): 352.19
Polar Surface Area: 116 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 341.8±5.0 cm3

Click to predict properties on the Chemicalize site


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