ChemSpider 2D Image | (3S,3'S)-3,3'-Dihydroxy-15,15'-didehydro-beta,beta-carotene-4,4'-dione | C40H50O4

(3S,3'S)-3,3'-Dihydroxy-15,15'-didehydro-β,β-carotene-4,4'-dione

  • Molecular FormulaC40H50O4
  • Average mass594.823 Da
  • Monoisotopic mass594.370911 Da
  • ChemSpider ID20145023

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,3'S)-3,3'-Dihydroxy-15,15'-didehydro-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
(3S,3'S)-3,3'-Dihydroxy-15,15'-didéhydro-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
(3S,3'S)-3,3'-Dihydroxy-15,15'-didehydro-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-dione, 15,15'-didehydro-3,3'-dihydroxy-, (3S,3'S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 770.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 433.9±29.4 °C
Index of Refraction: 1.601
Molar Refractivity: 187.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 165277.98
ACD/KOC (pH 5.5): 189136.30
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 165275.98
ACD/KOC (pH 7.4): 189134.02
Polar Surface Area: 75 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 546.8±3.0 cm3

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