ChemSpider 2D Image | (3S,3'R,5R,8S,9cis)-5,8-Dihydro-5,8-epoxy-beta,beta-carotene-3,3'-diol | C40H56O3

(3S,3'R,5R,8S,9cis)-5,8-Dihydro-5,8-epoxy-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID10382406

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,3'R,5R,8S,9cis)-5,8-Dihydro-5,8-epoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3S,3'R,5R,8S,9cis)-5,8-Dihydro-5,8-époxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3S,3'R,5R,8S,9cis)-5,8-Dihydro-5,8-epoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, (3S,3'R,5R,8S,9cis)- [ACD/Index Name]
(8S)-mutatoxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 716.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.6±6.0 kJ/mol
Flash Point: 386.9±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.26
ACD/LogD (pH 5.5): 9.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4289020.00
ACD/LogD (pH 7.4): 9.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4289020.00
Polar Surface Area: 50 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 559.6±5.0 cm3

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