ChemSpider 2D Image | alpha-Cryptoxanthin | C40H56O

α-Cryptoxanthin

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID28533805

  • 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

(3R,6R)-4,5-Didehydro-5,6-dihydro-β,β-caroten-3-ol [ACD/IUPAC Name]
(3R,6R)-4,5-Didéhydro-5,6-dihydro-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(3R,6R)-4,5-Didehydro-5,6-dihydro-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
α-Cryptoxanthin
β,β-Caroten-3-ol, 4,5-didehydro-5,6-dihydro-, (3R,6R)- [ACD/Index Name]
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol
(3R)-β,β-carotene-3-ol
(3'R,6'R)-??,??-caroten-3'-ol
(3'R,6'R)-β,ε-caroten-3'-ol
2342912 [Beilstein]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 673.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±6.0 kJ/mol
Flash Point: 291.2±23.7 °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): 11.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.94
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

Click to predict properties on the Chemicalize site


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