ChemSpider 2D Image | (3S)-3-[2,4-Dihydroxy-5-(2-methyl-3-buten-2-yl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one | C25H28O7

(3S)-3-[2,4-Dihydroxy-5-(2-methyl-3-buten-2-yl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC25H28O7
  • Average mass440.486 Da
  • Monoisotopic mass440.183502 Da
  • ChemSpider ID29355854

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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(3S)-3-[2,4-Dihydroxy-5-(2-methyl-3-buten-2-yl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-3-[2,4-Dihydroxy-5-(2-methyl-3-buten-2-yl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-3-[2,4-Dihydroxy-5-(2-méthyl-3-butén-2-yl)phényl]-3,5,7-trihydroxy-6-(3-méthyl-2-butén-1-yl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[5-(1,1-dimethyl-2-propen-1-yl)-2,4-dihydroxyphenyl]-2,3-dihydro-3,5,7-trihydroxy-6-(3-methyl-2-buten-1-yl)-, (3S)- [ACD/Index Name]
sedonan B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 230.2±25.0 °C
Index of Refraction: 1.643
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4119.20
ACD/KOC (pH 5.5): 13432.33
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2561.33
ACD/KOC (pH 7.4): 8352.27
Polar Surface Area: 127 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 331.2±3.0 cm3

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