ChemSpider 2D Image | 3,3'-Dihydroxy-2,3-didehydro-beta,beta-caroten-4-one | C40H52O3

3,3'-Dihydroxy-2,3-didehydro-β,β-caroten-4-one

  • Molecular FormulaC40H52O3
  • Average mass580.839 Da
  • Monoisotopic mass580.391663 Da
  • ChemSpider ID59700132

  • Double-bond stereo - Double-bond stereo

More details:

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

3,3'-Dihydroxy-2,3-didehydro-β,β-caroten-4-one [ACD/IUPAC Name]
3,3'-Dihydroxy-2,3-didéhydro-β,β-carotén-4-one [French] [ACD/IUPAC Name]
3,3'-Dihydroxy-2,3-didehydro-β,β-carotin-4-on [German] [ACD/IUPAC Name]
β,β-Caroten-4-one, 2,3-didehydro-3,3'-dihydroxy- [ACD/Index Name]
β-Doradecin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 751.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.9±6.0 kJ/mol
Flash Point: 422.1±29.4 °C
Index of Refraction: 1.600
Molar Refractivity: 188.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.09
ACD/LogD (pH 5.5): 9.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3848173.75
ACD/LogD (pH 7.4): 9.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3488106.00
Polar Surface Area: 58 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 551.9±3.0 cm3

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