ChemSpider 2D Image | (3S,3'R,4R)-7',8'-Didehydro-beta,beta-carotene-3,3',4-triol | C40H54O3

(3S,3'R,4R)-7',8'-Didehydro-β,β-carotene-3,3',4-triol

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID17220892

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3'R,4R)-7',8'-Didehydro-β,β-carotene-3,3',4-triol [ACD/IUPAC Name]
(3S,3'R,4R)-7',8'-Didéhydro-β,β-carotène-3,3',4-triol [French] [ACD/IUPAC Name]
(3S,3'R,4R)-7',8'-Didehydro-β,β-carotin-3,3',4-triol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3',4-triol, 7',8'-didehydro-, (3S,3'R,4R)- [ACD/Index Name]
(3S,4R,3'R)-7',8'-Didehydro-β,β-carotene-3,4,3'-triol
Pectenol
Pectenol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 724.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 279.3±27.5 °C
Index of Refraction: 1.577
Molar Refractivity: 183.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.97
ACD/LogD (pH 5.5): 9.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4060224.75
ACD/LogD (pH 7.4): 9.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4060224.75
Polar Surface Area: 61 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 552.4±5.0 cm3

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