ChemSpider 2D Image | (2E,2'E)-4,4'-[(2R,2'R,6R,6'R)-18,18'-Didehydro-6,6'-dihydro-beta,beta-carotene-2,2'-diyl]bis(2-methyl-2-buten-1-ol) | C50H72O2

(2E,2'E)-4,4'-[(2R,2'R,6R,6'R)-18,18'-Didehydro-6,6'-dihydro-β,β-carotene-2,2'-diyl]bis(2-methyl-2-buten-1-ol)

  • Molecular FormulaC50H72O2
  • Average mass705.106 Da
  • Monoisotopic mass704.553223 Da
  • ChemSpider ID9116771

  • 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

(2E,2'E)-4,4'-[(2R,2'R,6R,6'R)-18,18'-Didehydro-6,6'-dihydro-β,β-carotene-2,2'-diyl]bis(2-methyl-2-buten-1-ol) [ACD/IUPAC Name]
(2E,2'E)-4,4'-[(2R,2'R,6R,6'R)-18,18'-Didéhydro-6,6'-dihydro-β,β-carotène-2,2'-diyl]bis(2-méthyl-2-butén-1-ol) [French] [ACD/IUPAC Name]
(2E,2'E)-4,4'-[(2R,2'R,6R,6'R)-18,18'-Didehydro-6,6'-dihydro-β,β-carotene-2,2'-diyl]bis(2-methylbut-2-en-1-ol)
(2E,2'E)-4,4'-[(2R,2'R,6R,6'R)-18,18'-Didehydro-6,6'-dihydro-β,β-carotin-2,2'-diyl]bis(2-methyl-2-buten-1-ol) [German] [ACD/IUPAC Name]
2-Buten-1-ol, 4,4'-[(2R,2'R,6R,6'R)-18,18'-didehydro-6,6'-dihydro-β,β-carotene-2,2'-diyl]bis[2-methyl-, (2E,2'E)- [ACD/Index Name]
(2R,2'R,6R,6'R)-5,5',18,18'-Tetradehydro-5,5',6,6'-tetrahydro-2,2'-bis[(E)-4-hydroxy-3-methyl
(2R,6R,2'R,6'R)-2,2'-Bis-(4-hydroxy-3-methylbut-2-enyl)-γ,γ-carotene
11031-47-3 [RN]
sarcinaxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 782.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 274.8±27.5 °C
Index of Refraction: 1.553
Molar Refractivity: 229.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 16.32
ACD/LogD (pH 5.5): 13.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 90.9±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 716.6±5.0 cm3

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