ChemSpider 2D Image | (9cis,13cis,13'cis)-beta,beta-Carotene-4,4'-diol | C40H56O2

(9cis,13cis,13'cis)-β,β-Carotene-4,4'-diol

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID24784693

  • Double-bond stereo - Double-bond stereo

More details:

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

(9cis,13cis,13'cis)-β,β-Carotene-4,4'-diol [ACD/IUPAC Name]
(9cis,13cis,13'cis)-β,β-Carotène-4,4'-diol [French] [ACD/IUPAC Name]
(9cis,13cis,13'cis)-β,β-Carotin-4,4'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-diol, (9cis,13cis,13'cis)- [ACD/Index Name]
4,4'-dihydro-&β;,&β;-carotene
isozeaxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 713.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.2±6.0 kJ/mol
Flash Point: 274.5±26.1 °C
Index of Refraction: 1.585
Molar Refractivity: 189.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.72
ACD/LogD (pH 5.5): 10.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 564.1±3.0 cm3

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