ChemSpider 2D Image | (3'E)-3',4'-Didehydro-1',2'-dihydro-beta,psi-carotene-1',2'-diol | C40H56O2

(3'E)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotene-1',2'-diol

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID17220961

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3'E)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotene-1',2'-diol [ACD/IUPAC Name]
(3'E)-3',4'-Didéhydro-1',2'-dihydro-β,ψ-carotène-1',2'-diol [French] [ACD/IUPAC Name]
(3'E)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotin-1',2'-diol [German] [ACD/IUPAC Name]
β,ψ-Carotene, 3',4'-didehydro-1',2'-dihydro-1',2'-dihydroxy-, (2'R)-
β,ψ-Carotene-1',2'-diol, 3',4'-didehydro-1',2'-dihydro-, (3'E)- [ACD/Index Name]
(2'R)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotene-1',2'-diol
(2'R)-Plectaniaxanthin
(3R,6E,8E,10E,12E,16E,18E,20E,22E,24E)-25-(2,6,6-Trimethyl-1-cyclohexenyl)-2,6,10,14,19,23-hexamethy
16795-87-2 [RN]
plectaniaxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 726.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 278.9±21.9 °C
Index of Refraction: 1.564
Molar Refractivity: 189.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 11.92
ACD/LogD (pH 5.5): 10.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 582.8±3.0 cm3

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