ChemSpider 2D Image | (3S,3'R,5R,6S)-5,6-Dihydro-beta,beta-carotene-3,3',5,6-tetrol | C40H58O4

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

  • Molecular FormulaC40H58O4
  • Average mass602.886 Da
  • Monoisotopic mass602.433533 Da
  • ChemSpider ID10403353

  • 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)-5,6-Dihydro-β,β-carotene-3,3',5,6-tetrol [ACD/IUPAC Name]
(3S,3'R,5R,6S)-5,6-Dihydro-β,β-carotène-3,3',5,6-tétrol [French] [ACD/IUPAC Name]
(3S,3'R,5R,6S)-5,6-Dihydro-β,β-carotin-3,3',5,6-tetrol [German] [ACD/IUPAC Name]
99664-49-0 [RN]
β,β-Carotene-3,3',5,6-tetrol, 5,6-dihydro-, (3S,3'R,5R,6S)- [ACD/Index Name]
(3S,5R,6S,3'R)-5,6-Dihydro-β,β-carotene-3,5,6,3'-tetrol
6-Epikarpoxanthin

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

Density: 1.1±0.0 g/cm3
Boiling Point: 720.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±0.0 kJ/mol
Flash Point: 273.9±0.0 °C
Index of Refraction: 1.596
Molar Refractivity: 192.5±0.0 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.07
ACD/LogD (pH 5.5): 10.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7197719.00
ACD/LogD (pH 7.4): 10.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7197711.50
Polar Surface Area: 81 Å2
Polarizability: 76.3±0.0 10-24cm3
Surface Tension: 46.4±0.0 dyne/cm
Molar Volume: 565.7±0.0 cm3

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