ChemSpider 2D Image | beta-cryptoxanthin | C40H56O

β-cryptoxanthin

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID4444646
  • 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

β-cryptoxanthin
(3R,6'R)-4',5'-Didehydro-5',6'-dihydro-β,β-caroten-3-ol [ACD/IUPAC Name]
(3R,6'R)-4',5'-Didéhydro-5',6'-dihydro-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(3R,6'R)-4',5'-Didehydro-5',6'-dihydro-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
(3R,6'R)-β,ε-caroten-3-ol
24480-38-4 [RN]
J02CU7E14H
Physoxanthin
zeinoxanthin
α-Caroten-3-ol
More...

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

C08590 [DBID]
CHEBI:10223 [DBID]
  • Miscellaneous
    • Chemical Class:

      A carotenol, the structure of which is (6'<stereo>R</stereo>)-<greek>beta</greek>,<greek>epsilon</greek>-carotene hydroxy-substituted at C-3 with <stereo>R</stereo>-stereochemistry. ChEBI CHEBI:65244

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

Density: 1.0±0.1 g/cm3
Boiling Point: 672.8±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 290.8±23.5 °C
Index of Refraction: 1.573
Molar Refractivity: 187.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.61
ACD/LogD (pH 5.5): 11.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 569.1±3.0 cm3

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