Found 1 result

Search term: 17220871 (Found by CSID)
ChemSpider 2D Image | (3R,6Z,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2',3',4,4'-Tetradehydro-beta,beta-caroten-3-ol | C40H52O

(3R,6Z,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2',3',4,4'-Tetradehydro-β,β-caroten-3-ol

  • Molecular FormulaC40H52O
  • Average mass548.840 Da
  • Monoisotopic mass548.401794 Da
  • ChemSpider ID17220871

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R,6Z,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2',3',4,4'-Tetradehydro-β,β-caroten-3-ol [ACD/IUPAC Name]
(3R,6Z,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2',3',4,4'-Tétradéhydro-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(3R,6Z,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2',3',4,4'-Tetradehydro-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
β,β-Caroten-3-ol, 2',3',4,4'-tetradehydro-, (3R,6Z,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)- [ACD/Index Name]
Monoanhydroescholtzxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 690.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 294.6±17.9 °C
Index of Refraction: 1.590
Molar Refractivity: 186.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 12.65
ACD/LogD (pH 5.5): 10.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 553.7±3.0 cm3

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