ChemSpider 2D Image | blumeatin | C16H14O6

blumeatin

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID27445003

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

blumeatin
(2S)-2-(3,5-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(3,5-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-(3,5-Dihydroxyphényl)-5-hydroxy-7-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
(2S)-2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
118024-26-3 [RN]
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (2S)- [ACD/Index Name]
(2S)-2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
[118024-26-3] [RN]
3',5,5'-Trihydroxy-7-methoxyflavanone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 229.7±25.0 °C
Index of Refraction: 1.665
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 60.09
ACD/KOC (pH 5.5): 650.57
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 29.67
ACD/KOC (pH 7.4): 321.22
Polar Surface Area: 96 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

Click to predict properties on the Chemicalize site


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