ChemSpider 2D Image | (2E,2'E)-4,4'-(2R,2'R)-beta,beta-Carotene-2,2'-diylbis(2-methyl-2-buten-1-ol) | C50H72O2

(2E,2'E)-4,4'-(2R,2'R)-β,β-Carotene-2,2'-diylbis(2-methyl-2-buten-1-ol)

  • Molecular FormulaC50H72O2
  • Average mass705.106 Da
  • Monoisotopic mass704.553223 Da
  • ChemSpider ID10388962

  • 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

(2E,2'E)-4,4'-(2R,2'R)-β,β-Carotene-2,2'-diylbis(2-methyl-2-buten-1-ol) [ACD/IUPAC Name]
(2E,2'E)-4,4'-(2R,2'R)-β,β-Carotène-2,2'-diylbis(2-méthyl-2-butén-1-ol) [French] [ACD/IUPAC Name]
(2E,2'E)-4,4'-(2R,2'R)-β,β-Carotin-2,2'-diylbis(2-methyl-2-buten-1-ol) [German] [ACD/IUPAC Name]
2-Buten-1-ol, 4,4'-(2R,2'R)-β,β-carotene-2,2'-diylbis[2-methyl-, (2E,2'E)- [ACD/Index Name]
(2R,2'R)-2,2'-Bis-(4-hydroxy-3-methylbut-2-enyl)-β,β-carotene
C.p.450

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

Density: 1.0±0.0 g/cm3
Boiling Point: 799.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 132.4±0.0 kJ/mol
Flash Point: 282.5±0.0 °C
Index of Refraction: 1.561
Molar Refractivity: 235.3±0.0 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 15.39
ACD/LogD (pH 5.5): 15.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 93.3±0.0 10-24cm3
Surface Tension: 37.6±0.0 dyne/cm
Molar Volume: 726.2±0.0 cm3

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