ChemSpider 2D Image | (2S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dihydro-4H-chromen-4-one | C30H36O6

(2S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC30H36O6
  • Average mass492.603 Da
  • Monoisotopic mass492.251190 Da
  • ChemSpider ID24846467

  • 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)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-(3,4-Dihydroxyphényl)-5,7-dihydroxy-6-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-6-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-, (2S)- [ACD/Index Name]
6-Farnesyl-3',4',5,7-tetrahydroxyflavanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 234.9±26.4 °C
Index of Refraction: 1.608
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.75
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 595500.75
ACD/KOC (pH 5.5): 471339.81
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 263736.50
ACD/KOC (pH 7.4): 208747.86
Polar Surface Area: 107 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 409.4±3.0 cm3

Click to predict properties on the Chemicalize site


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