ChemSpider 2D Image | 3,8'-Dihydroxy-7,8-didehydro-beta,kappa-carotene-3',6'-dione  | C40H52O4

3,8'-Dihydroxy-7,8-didehydro-β,κ-carotene-3',6'-dione

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID4528482
  • Double-bond stereo - Double-bond stereo


More details:






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

3,8'-Dihydroxy-7,8-didéhydro-β,κ-carotène-3',6'-dione [French] [ACD/IUPAC Name]
3,8'-Dihydroxy-7,8-didehydro-β,κ-carotene-3',6'-dione [ACD/IUPAC Name]
3,8'-Dihydroxy-7,8-didehydro-β,κ-carotin-3',6'-dion [German] [ACD/IUPAC Name]
β,κ-Carotene-3',6'-dione, 7,8-didehydro-3,8'-dihydroxy- [ACD/Index Name]
Mytiloxanthinone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 750.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 421.4±29.4 °C
Index of Refraction: 1.570
Molar Refractivity: 182.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 789659.69
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 724166.56
Polar Surface Area: 75 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 554.6±5.0 cm3

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