ChemSpider 2D Image | 3',4',5',18'-Tetradehydro-5',6'-dihydro-beta,beta-carotene-3,6'-diol | C40H54O2

3',4',5',18'-Tetradehydro-5',6'-dihydro-β,β-carotene-3,6'-diol

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID35014377
  • Double-bond stereo - Double-bond stereo


More details:






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

3',4',5',18'-Tetradehydro-5',6'-dihydro-β,β-carotene-3,6'-diol [ACD/IUPAC Name]
3',4',5',18'-Tétradéhydro-5',6'-dihydro-β,β-carotène-3,6'-diol [French] [ACD/IUPAC Name]
3',4',5',18'-Tetradehydro-5',6'-dihydro-β,β-carotin-3,6'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,6'-diol, 3',4',5',18'-tetradehydro-5',6'-dihydro- [ACD/Index Name]
(3R,6'S)-3',18'-Didehydro-β,ε-carotene-3,6'-diol
158312-69-7 [RN]
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-hydroxy-6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
Nigroxanthin

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 702.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 270.4±27.5 °C
Index of Refraction: 1.569
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.43
ACD/LogD (pH 5.5): 10.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8417753.00
ACD/LogD (pH 7.4): 10.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8417744.00
Polar Surface Area: 40 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 559.8±5.0 cm3

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