ChemSpider 2D Image | (2R,3'E)-2-Hydroxy-3',4'-didehydro-beta,psi-caroten-16'-oic acid | C40H52O3

(2R,3'E)-2-Hydroxy-3',4'-didehydro-β,ψ-caroten-16'-oic acid

  • Molecular FormulaC40H52O3
  • Average mass580.839 Da
  • Monoisotopic mass580.391663 Da
  • ChemSpider ID28283129

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3'E)-2-Hydroxy-3',4'-didehydro-β,ψ-caroten-16'-oic acid [ACD/IUPAC Name]
(2R,3'E)-2-Hydroxy-3',4'-didehydro-β,ψ-carotin-16'-säure [German] [ACD/IUPAC Name]
Acide (2R,3'E)-2-hydroxy-3',4'-didéhydro-β,ψ-carotén-16'-oïque [French] [ACD/IUPAC Name]
β,ψ-Caroten-16'-oic acid, 3',4'-didehydro-2-hydroxy-, (2R,3'E)- [ACD/Index Name]
2-hydroxytorularhodin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 763.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 429.2±24.7 °C
Index of Refraction: 1.577
Molar Refractivity: 189.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 11.50
ACD/LogD (pH 5.5): 9.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1050936.38
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 63262.94
ACD/KOC (pH 7.4): 16641.79
Polar Surface Area: 58 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 572.4±3.0 cm3

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