ChemSpider 2D Image | (3R,6'R)-3',4',5',18'-Tetradehydro-5',6'-dihydro-beta,beta-caroten-3-ol | C40H54O

(3R,6'R)-3',4',5',18'-Tetradehydro-5',6'-dihydro-β,β-caroten-3-ol

  • Molecular FormulaC40H54O
  • Average mass550.856 Da
  • Monoisotopic mass550.417480 Da
  • ChemSpider ID9401684

  • 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,6'R)-3',4',5',18'-Tetradehydro-5',6'-dihydro-β,β-caroten-3-ol [ACD/IUPAC Name]
(3R,6'R)-3',4',5',18'-Tétradéhydro-5',6'-dihydro-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(3R,6'R)-3',4',5',18'-Tetradehydro-5',6'-dihydro-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
92760-20-8 [RN]
β,β-Caroten-3-ol, 3',4',5',18'-tetradehydro-5',6'-dihydro-, (3R,6'R)- [ACD/Index Name]
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-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
(3R,6'R)-3',4'-Didehydro-β,γ-caroten-3-ol
(R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-6,6-Dimethyl-2-methylene-cyclohex-3-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-enol
Anhydrolutein I
Anhydrolutein-I

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 676.2±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 291.2±23.5 °C
Index of Refraction: 1.560
Molar Refractivity: 181.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.00
ACD/LogD (pH 5.5): 11.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 562.8±5.0 cm3

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