ChemSpider 2D Image | (2S)-5,7-Dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one | C26H30O7

(2S)-5,7-Dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC26H30O7
  • Average mass454.512 Da
  • Monoisotopic mass454.199158 Da
  • ChemSpider ID23340656

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5,7-Dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-diméthyl-2,5-octadién-1-yl]-2-(4-hydroxy-3-méthoxyphényl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-, (2S)- [ACD/Index Name]
(2S)-5,7-dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517927/
Tomentodiplacone 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: 707.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 239.0±26.4 °C
Index of Refraction: 1.618
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2127.37
ACD/KOC (pH 5.5): 8350.18
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 926.86
ACD/KOC (pH 7.4): 3638.04
Polar Surface Area: 116 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 356.7±3.0 cm3

Click to predict properties on the Chemicalize site


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