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ChemSpider 2D Image | Cryptoxanthin | C40H56O

Cryptoxanthin

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID4444647
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:



Featured data source



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

(1R)-3,5,5-Trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaen-1-yl]-3-cyclohexen-1-ol
(1R)-3,5,5-Triméthyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tétraméthyl-18-(2,6,6-triméthyl-1-cyclohexén-1-yl)-1,3,5,7,9,11,13,15,17-octadécanonaèn-1-yl]-3-cyclohexén-1-ol
(3R)-b,b-Caroten-3-ol
(3R)-β,β-Caroten-3-ol [ACD/IUPAC Name]
(3R)-β,β-Caroten-3-ol
(3R)-β,β-Carotén-3-ol [French] [ACD/IUPAC Name]
(3R)-β,β-carotene-3-ol
(3R)-β,β-Carotin-3-ol [German] [ACD/IUPAC Name]
472-70-8 [RN]
6ZIB13GI33
More...

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

C08591 [DBID]
CHEBI:10362 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 682.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 293.7±17.9 °C
Index of Refraction: 1.575
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: 13.67
ACD/LogD (pH 5.5): 12.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.08
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: 38.8±3.0 dyne/cm
Molar Volume: 567.1±3.0 cm3

Click to predict properties on the Chemicalize site






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