ChemSpider 2D Image | (9cis,11'cis,13cis)-5,5',6,6'-Tetrahydro-3,6:3',6'-diepoxy-beta,beta-carotene-5,5'-diol | C40H56O4

(9cis,11'cis,13cis)-5,5',6,6'-Tetrahydro-3,6:3',6'-diepoxy-β,β-carotene-5,5'-diol

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID35014506

  • Double-bond stereo - Double-bond stereo

More details:

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

(9cis,11'cis,13cis)-5,5',6,6'-Tetrahydro-3,6:3',6'-diepoxy-β,β-carotene-5,5'-diol [ACD/IUPAC Name]
(9cis,11'cis,13cis)-5,5',6,6'-Tétrahydro-3,6:3',6'-diépoxy-β,β-carotène-5,5'-diol [French] [ACD/IUPAC Name]
(9cis,11'cis,13cis)-5,5',6,6'-Tetrahydro-3,6:3',6'-diepoxy-β,β-carotin-5,5'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-5,5'-diol, 3,6:3',6'-diepoxy-5,5',6,6'-tetrahydro-, (9cis,11'cis,13cis)- [ACD/Index Name]
(3S,3'S,5R,5'R,6R,6'R)-3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-5,5'-dihydroxy-β,β-carotene
1-[(1E,3Z,5E,7Z,9E,11E,13Z,15E,17E)-18-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol
Cycloviolaxanthin

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: 680.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.3±6.0 kJ/mol
Flash Point: 365.6±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 188.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 7.64
ACD/BCF (pH 5.5): 375608.69
ACD/KOC (pH 5.5): 340383.56
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 375608.69
ACD/KOC (pH 7.4): 340383.56
Polar Surface Area: 59 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 551.5±3.0 cm3

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