ChemSpider 2D Image | Canthaxanthin | C40H52O2

Canthaxanthin

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID4444639
  • Double-bond stereo - Double-bond stereo


More details:



Featured data source



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

Canthaxanthin [Wiki]
1898520
231-424-6 [EINECS]
4,4'-Diketo-b-carotene
4,4'-Diketo-β-carotene
4,4'-Dioxo-b-carotene
4C3C6403MU
7542-45-2 [RN]
Aphanicin
b,b-Carotene-4,4'-dione
More...

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

BRN 1898520 [DBID]
C.I. 40850 [DBID]
C08583 [DBID]
CCRIS 3276 [DBID]
CI 40850 [DBID]
DivK1c_006775 [DBID]
KBio1_001719 [DBID]
LS-167 [DBID]
NSC 374110 [DBID]
NSC374110 [DBID]
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 717.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 253.9±24.3 °C
Index of Refraction: 1.575
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.69
ACD/LogD (pH 5.5): 9.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3315749.50
ACD/LogD (pH 7.4): 9.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3315749.50
Polar Surface Area: 34 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 563.1±3.0 cm3

Click to predict properties on the Chemicalize site






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