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

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

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID27445005
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-{3-[(2S)-2,3-Dihydroxy-3-methylbutyl]-4-hydroxy-5-(3-methyl-2-buten-1-yl)phenyl}-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{3-[(2S)-2,3-Dihydroxy-3-methylbutyl]-4-hydroxy-5-(3-methyl-2-buten-1-yl)phenyl}-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-{3-[(2S)-2,3-Dihydroxy-3-méthylbutyl]-4-hydroxy-5-(3-méthyl-2-butén-1-yl)phényl}-5,7-dihydroxy-3,6-diméthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-3,6-dimethoxy- [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: 768.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 256.3±26.4 °C
Index of Refraction: 1.646
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 194.71
ACD/KOC (pH 5.5): 1426.95
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 8.56
ACD/KOC (pH 7.4): 62.73
Polar Surface Area: 146 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 361.0±5.0 cm3

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