ChemSpider 2D Image | 7,8-Didehydro-5',6'-dihydro-3',6'-epoxy-beta,beta-carotene-3,5'-diol | C40H54O3

7,8-Didehydro-5',6'-dihydro-3',6'-epoxy-β,β-carotene-3,5'-diol

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID35014471

  • Double-bond stereo - Double-bond stereo

More details:

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

7,8-Didehydro-5',6'-dihydro-3',6'-epoxy-β,β-carotene-3,5'-diol [ACD/IUPAC Name]
7,8-Didéhydro-5',6'-dihydro-3',6'-époxy-β,β-carotène-3,5'-diol [French] [ACD/IUPAC Name]
7,8-Didehydro-5',6'-dihydro-3',6'-epoxy-β,β-carotin-3,5'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,5'-diol, 7,8-didehydro-3',6'-epoxy-5',6'-dihydro- [ACD/Index Name]
(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-β,β-carotene-3',5-diol
1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
Diatoxanthin 3,6-epoxide

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 692.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 181.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.56
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2186614.50
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2186614.50
Polar Surface Area: 50 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 549.5±5.0 cm3

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