ChemSpider 2D Image | (5R,5'R,6S,9'cis)-5,5',6,8'-Tetrahydro-5',8'-epoxy-beta,beta-carotene-5,6-diol | C40H58O3

(5R,5'R,6S,9'cis)-5,5',6,8'-Tetrahydro-5',8'-epoxy-β,β-carotene-5,6-diol

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID24607922

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5R,5'R,6S,9'cis)-5,5',6,8'-Tetrahydro-5',8'-epoxy-β,β-carotene-5,6-diol [ACD/IUPAC Name]
(5R,5'R,6S,9'cis)-5,5',6,8'-Tétrahydro-5',8'-époxy-β,β-carotène-5,6-diol [French] [ACD/IUPAC Name]
(5R,5'R,6S,9'cis)-5,5',6,8'-Tetrahydro-5',8'-epoxy-β,β-carotin-5,6-diol [German] [ACD/IUPAC Name]
β,β-Carotene-5,6-diol, 5',8'-epoxy-5,5',6,8'-tetrahydro-, (5R,5'R,6S,9'cis)- [ACD/Index Name]
Ipomoeaxanthin C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 184.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.03
ACD/LogD (pH 5.5): 9.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5006508.00
ACD/LogD (pH 7.4): 9.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5006508.00
Polar Surface Area: 50 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 566.1±5.0 cm3

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