ChemSpider 2D Image | 6,7-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,3',5-triol | C40H56O4

6,7-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotene-3,3',5-triol

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID4904573

  • Double-bond stereo - Double-bond stereo

More details:

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

6,7-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotene-3,3',5-triol [ACD/IUPAC Name]
6,7-Didéhydro-5,5',6,6'-tétrahydro-5',6'-époxy-β,β-carotène-3,3',5-triol [French] [ACD/IUPAC Name]
6,7-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotin-3,3',5-triol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3',5-triol, 6,7-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro- [ACD/Index Name]
trans-neoxanthin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 733.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 185.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 334126.19
ACD/KOC (pH 5.5): 313031.69
ACD/LogD (pH 7.4): 7.57
ACD/BCF (pH 7.4): 334126.19
ACD/KOC (pH 7.4): 313031.69
Polar Surface Area: 73 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 563.6±5.0 cm3

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