ChemSpider 2D Image | (4R,4'R,7cis,7'cis,11cis,11'cis,15cis)-4,4'-Dihydroxy-beta,beta-carotene-3,3'-dione | C40H52O4

(4R,4'R,7cis,7'cis,11cis,11'cis,15cis)-4,4'-Dihydroxy-β,β-carotene-3,3'-dione

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID5036030
  • 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

(4R,4'R,7cis,7'cis,11cis,11'cis,15cis)-4,4'-Dihydroxy-β,β-carotene-3,3'-dione [ACD/IUPAC Name]
(4R,4'R,7cis,7'cis,11cis,11'cis,15cis)-4,4'-Dihydroxy-β,β-carotène-3,3'-dione [French] [ACD/IUPAC Name]
(4R,4'R,7cis,7'cis,11cis,11'cis,15cis)-4,4'-Dihydroxy-β,β-carotin-3,3'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-dione, 4,4'-dihydroxy-, (4R,4'R,7cis,7'cis,11cis,11'cis,15cis)- [ACD/Index Name]

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

Lopac-A-9335 [DBID]
NCGC00015105-01 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 770.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 433.5±29.4 °C
Index of Refraction: 1.595
Molar Refractivity: 189.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 8.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 770348.56
ACD/LogD (pH 7.4): 8.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 770335.06
Polar Surface Area: 75 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 557.1±3.0 cm3

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