Found 25 results

Search term: MF = 'C_{40}H_{54}O_{5}'
ChemSpider 2D Image | (2R,2'R,3R,3'R)-2,2',3,3'-Tetrahydroxy-beta,beta-caroten-4-one | C40H54O5

(2R,2'R,3R,3'R)-2,2',3,3'-Tetrahydroxy-β,β-caroten-4-one

  • Molecular FormulaC40H54O5
  • Average mass614.854 Da
  • Monoisotopic mass614.397095 Da
  • ChemSpider ID17220917

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R,3R,3'R)-2,2',3,3'-Tetrahydroxy-β,β-caroten-4-one [ACD/IUPAC Name]
(2R,2'R,3R,3'R)-2,2',3,3'-Tétrahydroxy-β,β-carotén-4-one [French] [ACD/IUPAC Name]
(2R,2'R,3R,3'R)-2,2',3,3'-Tetrahydroxy-β,β-carotin-4-on [German] [ACD/IUPAC Name]
β,β-Caroten-4-one, 2,2',3,3'-tetrahydroxy-, (2R,2'R,3R,3'R)- [ACD/Index Name]
4-Ketonostoxanthin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 773.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 435.5±29.4 °C
Index of Refraction: 1.611
Molar Refractivity: 192.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 292719.50
ACD/KOC (pH 5.5): 284747.66
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 292713.38
ACD/KOC (pH 7.4): 284741.72
Polar Surface Area: 98 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 554.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement