ChemSpider 2D Image | (3R,3'R)-7,7',8,8'-Tetrahydro-beta,beta-carotene-3,3'-diol | C40H60O2

(3R,3'R)-7,7',8,8'-Tetrahydro-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H60O2
  • Average mass572.903 Da
  • Monoisotopic mass572.459351 Da
  • ChemSpider ID17220907

  • 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

(3R,3'R)-7,7',8,8'-Tetrahydro-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3R,3'R)-7,7',8,8'-Tétrahydro-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3R,3'R)-7,7',8,8'-Tetrahydro-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 7,7',8,8'-tetrahydro-, (3R,3'R)- [ACD/Index Name]
62994-71-2 [RN]
7,8-Dihydroparasiloxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 685.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 258.9±26.1 °C
Index of Refraction: 1.530
Molar Refractivity: 185.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 12.81
ACD/LogD (pH 5.5): 11.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 600.5±3.0 cm3

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