ChemSpider 2D Image | (3S,3'R,5R,9cis)-7',8'-Didehydro-5,8-dihydro-5,8-epoxy-beta,beta-carotene-3,3'-diol | C40H54O3

(3S,3'R,5R,9cis)-7',8'-Didehydro-5,8-dihydro-5,8-epoxy-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID24607916

  • 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

(3S,3'R,5R,9cis)-7',8'-Didehydro-5,8-dihydro-5,8-epoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3S,3'R,5R,9cis)-7',8'-Didéhydro-5,8-dihydro-5,8-époxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3S,3'R,5R,9cis)-7',8'-Didehydro-5,8-dihydro-5,8-epoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 7,8-didehydro-5',8'-epoxy-5',8'-dihydro-, (3R,3'S,5'R,9'cis)- [ACD/Index Name]
(3S,5R,8RS,3'R)-5,8-Epoxy-7',8'-didehydro-5,8-dihydro-β,β-carotene-3,3'-diol
24381-84-8 [RN]
Diadinochrome

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

Density: 1.1±0.1 g/cm3
Boiling Point: 712.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 385.0±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.43
ACD/LogD (pH 5.5): 9.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4457597.00
ACD/LogD (pH 7.4): 9.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4457597.00
Polar Surface Area: 50 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 549.5±5.0 cm3

Click to predict properties on the Chemicalize site


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