ChemSpider 2D Image | 3'-Deoxycapsanthin | C40H56O2

3'-Deoxycapsanthin

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID556861

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R,5'R)-3-Hydroxy-β,κ-caroten-6'-one [ACD/IUPAC Name]
(3R,5'R)-3-Hydroxy-β,κ-carotén-6'-one [French] [ACD/IUPAC Name]
(3R,5'R)-3-Hydroxy-β,κ-carotin-6'-on [German] [ACD/IUPAC Name]
3'-Deoxycapsanthin
β,κ-Caroten-6'-one, 3-hydroxy-, (3R,5'R)- [ACD/Index Name]
19-(4-Hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-4,8,13,17-tetramethyl-1-(1,2,2-trimethyl-cyclopentyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
7044-42-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 699.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.0±6.0 kJ/mol
Flash Point: 286.4±19.4 °C
Index of Refraction: 1.554
Molar Refractivity: 186.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.65
ACD/LogD (pH 5.5): 10.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 580.5±3.0 cm3

Click to predict properties on the Chemicalize site


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