ChemSpider 2D Image | (3'Z,5'cis,9cis,9'cis,11'cis,13cis,15cis)-3',4'-Didehydro-beta,psi-caroten-17'-oic acid | C40H52O2

(3'Z,5'cis,9cis,9'cis,11'cis,13cis,15cis)-3',4'-Didehydro-β,ψ-caroten-17'-oic acid

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID4978471

  • Double-bond stereo - Double-bond stereo

More details:

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

(3'Z,5'cis,9cis,9'cis,11'cis,13cis,15cis)-3',4'-Didehydro-β,ψ-caroten-17'-oic acid [ACD/IUPAC Name]
(3'Z,5'cis,9cis,9'cis,11'cis,13cis,15cis)-3',4'-Didehydro-β,ψ-carotin-17'-säure [German] [ACD/IUPAC Name]
Acide (3'Z,5'cis,9cis,9'cis,11'cis,13cis,15cis)-3',4'-didéhydro-β,ψ-carotén-17'-oïque [French] [ACD/IUPAC Name]
β,ψ-Caroten-17'-oic acid, 3',4'-didehydro-, (3'Z,5'cis,9cis,9'cis,11'cis,13cis,15cis)- [ACD/Index Name]
3',4'-Didehydro-,ψ-caroten-16'-oic acid

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

AIDS135637 [DBID]
AIDS-135637 [DBID]
NSC635690 [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): 10.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9288296.00
ACD/LogD (pH 7.4): 9.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 153939.23
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

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