ChemSpider 2D Image | 7,8-Didehydroastaxanthin | C40H50O4

7,8-Didehydroastaxanthin

  • Molecular FormulaC40H50O4
  • Average mass594.823 Da
  • Monoisotopic mass594.370911 Da
  • ChemSpider ID4947693
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,3'S)-3,3'-Dihydroxy-7',8'-didehydro-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
(3S,3'S)-3,3'-Dihydroxy-7',8'-didéhydro-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
(3S,3'S)-3,3'-Dihydroxy-7',8'-didehydro-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
19866-02-5 [RN]
7,8-Didehydroastaxanthin
β,β-Carotene-4,4'-dione, 7,8-didehydro-3,3'-dihydroxy-, (3S,3'S)- [ACD/Index Name]
(3S,3'S)-7,8-Didehydroastaxanthin
Asterinic acid
UNII:MBJ4WSK12V

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

Density: 1.1±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 425.3±29.4 °C
Index of Refraction: 1.578
Molar Refractivity: 181.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 7.77
ACD/BCF (pH 5.5): 472772.38
ACD/KOC (pH 5.5): 401317.38
ACD/LogD (pH 7.4): 7.77
ACD/BCF (pH 7.4): 472765.13
ACD/KOC (pH 7.4): 401311.22
Polar Surface Area: 75 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 548.0±5.0 cm3

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