ChemSpider 2D Image | (9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-beta,beta-caroten-3-ol | C40H56O3

(9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-β,β-caroten-3-ol

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID4525177
  • Double-bond stereo - Double-bond stereo


More details:






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

(9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-β,β-caroten-3-ol [ACD/IUPAC Name]
(9cis,9'cis)-5,5',8,8'-Tétrahydro-5,8:5',8'-diépoxy-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
β,β-Caroten-3-ol, 5,8:5',8'-diepoxy-5,5',8,8'-tetrahydro-, (9cis,9'cis)- [ACD/Index Name]
2-[(1E,3E,5E,7E,9E,11E,13E)-14-(4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-1,5,10-trimethyl-1,3,5,7,9,11,13-pentadecaheptaenyl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-o
Cryptochrome [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 689.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 370.8±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 181.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.27
ACD/LogD (pH 5.5): 9.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4882197.50
ACD/LogD (pH 7.4): 9.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4882197.50
Polar Surface Area: 39 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 556.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement