ChemSpider 2D Image | (9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene | C40H56O

(9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-β,β-carotene

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID4947327

  • Double-bond stereo - Double-bond stereo

More details:

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

(9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-β,β-carotene [ACD/IUPAC Name]
(9cis)-4',5'-Didéhydro-5,5',6',8-tétrahydro-5,8-époxy-β,β-carotène [French] [ACD/IUPAC Name]
(9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 4,5-didehydro-5',8'-epoxy-5,5',6,8'-tetrahydro-, (9'cis)- [ACD/Index Name]
4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,4,5,6,7,7a-hexahydro-1-benzofuran
4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran
5,8-Epoxy-5,8-dihydro-b,e-carotene
5,8-Epoxy-5,8-dihydro-β,ε-carotene
515-06-0 [RN]
Flavochrome

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: 1.0±0.1 g/cm3
Boiling Point: 646.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 316.1±29.5 °C
Index of Refraction: 1.553
Molar Refractivity: 180.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 13.63
ACD/LogD (pH 5.5): 11.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 564.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement