ChemSpider 2D Image | (3R,3'R,5S,5'S,6S,6'S,9cis,9'cis)-3,3'-Dihydroxy-5,5',6,6'-tetrahydro-beta,beta-carotene-4,4'-dione | C40H56O4

(3R,3'R,5S,5'S,6S,6'S,9cis,9'cis)-3,3'-Dihydroxy-5,5',6,6'-tetrahydro-β,β-carotene-4,4'-dione

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID40256590

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,3'R,5S,5'S,6S,6'S,9cis,9'cis)-3,3'-Dihydroxy-5,5',6,6'-tetrahydro-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
(3R,3'R,5S,5'S,6S,6'S,9cis,9'cis)-3,3'-Dihydroxy-5,5',6,6'-tétrahydro-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
(3R,3'R,5S,5'S,6S,6'S,9cis,9'cis)-3,3'-Dihydroxy-5,5',6,6'-tetrahydro-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-dione, 5,5',6,6'-tetrahydro-3,3'-dihydroxy-, (3R,3'R,5S,5'S,6S,6'S,9cis,9'cis)- [ACD/Index Name]
(9Z,9'Z)-Tetrahydroastaxanthin
9Z,9'Z-(3R,5S,6S,3'R,5'S,6'S)-3,3'-dihydroxy-5,6,5',6'-tetrahydro-β,β-carotene-4,4'-dione
9Z,9'Z-Tetrahydroastaxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 742.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.6±6.0 kJ/mol
Flash Point: 416.9±29.4 °C
Index of Refraction: 1.571
Molar Refractivity: 190.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 349227.53
ACD/KOC (pH 5.5): 323095.03
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 349225.59
ACD/KOC (pH 7.4): 323093.25
Polar Surface Area: 75 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 578.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement