ChemSpider 2D Image | (3R,5'R,6'S)-5',6'-Dihydro-beta,beta-carotene-3,5',6'-triol | C40H58O3

(3R,5'R,6'S)-5',6'-Dihydro-β,β-carotene-3,5',6'-triol

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID28284217

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,5'R,6'S)-5',6'-Dihydro-β,β-carotene-3,5',6'-triol [ACD/IUPAC Name]
(3R,5'R,6'S)-5',6'-Dihydro-β,β-carotène-3,5',6'-triol [French] [ACD/IUPAC Name]
(3R,5'R,6'S)-5',6'-Dihydro-β,β-carotin-3,5',6'-triol [German] [ACD/IUPAC Name]
β,β-Carotene-3,5',6'-triol, 5',6'-dihydro-, (3R,5'R,6'S)- [ACD/Index Name]
ipomoeaxanthin A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 693.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 262.7±26.1 °C
Index of Refraction: 1.586
Molar Refractivity: 190.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 9.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6174885.50
ACD/LogD (pH 7.4): 9.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6174885.50
Polar Surface Area: 61 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 568.7±3.0 cm3

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