ChemSpider 2D Image | 3',4'-Didehydro-beta,psi-caroten-16'-oic acid | C40H52O2

3',4'-Didehydro-β,ψ-caroten-16'-oic acid

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID84981

More details:

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

3',4'-Didehydro-β,ψ-caroten-16'-oic acid [ACD/IUPAC Name]
3',4'-Didehydro-β,ψ-carotin-16'-säure [German] [ACD/IUPAC Name]
Acide 3',4'-didéhydro-β,ψ-carotén-16'-oïque [French] [ACD/IUPAC Name]
β,ψ-Caroten-16'-oic acid, 3',4'-didehydro- [ACD/Index Name]
Torularhodin

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

NCI60_011910 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 733.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 559.8±15.2 °C
Index of Refraction: 1.567
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 13.39
ACD/LogD (pH 5.5): 10.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7064555.50
ACD/LogD (pH 7.4): 8.95
ACD/BCF (pH 7.4): 875114.25
ACD/KOC (pH 7.4): 112823.15
Polar Surface Area: 37 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 575.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement