ChemSpider 2D Image | phi,psi-Carotene | C40H52

phi,ψ-Carotene

  • Molecular FormulaC40H52
  • Average mass532.841 Da
  • Monoisotopic mass532.406921 Da
  • ChemSpider ID8274104

  • Double-bond stereo - Double-bond stereo

More details:

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

2932-09-4 [RN]
phi,ψ-Carotene [ACD/Index Name] [ACD/IUPAC Name]
phi,ψ-Carotène [French] [ACD/IUPAC Name]
phi,ψ-Carotin [German] [ACD/IUPAC Name]
C15908
trans-chlorobactene
  • Miscellaneous

    • Chemical Class:

      A carotenoid that is 1,2,4-trimethylmenzene in which the hydrogen at position 3 has been replaced by an <ital>all</ital>-<stereo>trans</stereo>-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,1 7,19,23-undecaen-1-yl group. Found in photosynthetic green bacteria. ChEBI CHEBI:80167
      A carotenoid that is 1,2,4-trimethylmenzene in which the hydrogen at position 3 has been replaced by an all-trans-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,1; 7,19,23-undecaen-1-yl group. Found in photosynthetic green bacteria. ChEBI CHEBI:80167
      A carotenoid that is 1,2,4-trimethylmenzene in which the hydrogen at position 3 has been replaced by an all-trans-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl group. F ound in photosynthetic green bacteria. ChEBI CHEBI:80167

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

Density: 0.9±0.1 g/cm3
Boiling Point: 671.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 95.1±0.8 kJ/mol
Flash Point: 376.7±18.7 °C
Index of Refraction: 1.559
Molar Refractivity: 186.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 14.30
ACD/LogD (pH 5.5): 12.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 576.4±3.0 cm3

Click to predict properties on the Chemicalize site


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