ChemSpider 2D Image | 6-Epiheteroxanthin | C40H56O4

6-Epiheteroxanthin

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID9839124
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3S,3'R,5R,6S)-7',8'-Didehydro-5,6-dihydro-β,β-carotene-3,3',5,6-tetrol [ACD/IUPAC Name]
(3S,3'R,5R,6S)-7',8'-Didéhydro-5,6-dihydro-β,β-carotène-3,3',5,6-tétrol [French] [ACD/IUPAC Name]
(3S,3'R,5R,6S)-7',8'-Didehydro-5,6-dihydro-β,β-carotin-3,3',5,6-tetrol [German] [ACD/IUPAC Name]
6-Epiheteroxanthin
β,β-Carotene-3,3',5,6-tetrol, 7',8'-didehydro-5,6-dihydro-, (3S,3'R,5R,6S)- [ACD/Index Name]
64023-28-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 717.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 273.5±27.5 °C
Index of Refraction: 1.579
Molar Refractivity: 185.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.25
ACD/LogD (pH 5.5): 8.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 725810.38
ACD/LogD (pH 7.4): 8.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 725809.56
Polar Surface Area: 81 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 556.7±5.0 cm3

Click to predict properties on the Chemicalize site






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