ChemSpider 2D Image | (3S)-Cryptoxanthin | C40H56O

(3S)-Cryptoxanthin

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID21468882

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-Cryptoxanthin
(3S)-β,β-Caroten-3-ol [ACD/IUPAC Name]
(3S)-β,β-Carotén-3-ol [French] [ACD/IUPAC Name]
(3S)-β,β-Carotin-3-ol [German] [ACD/IUPAC Name]
(S)-cryptoxanthin
1200446-88-3 [RN]
24480-38-4 [RN]
7IJP7J5923
Cryptoxanthin [Wiki]
CRYPTOXANTHIN, (S)-
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 682.9±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 114.6±6.0 kJ/mol
    Flash Point: 293.7±17.9 °C
    Index of Refraction: 1.575
    Molar Refractivity: 187.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 13.67
    ACD/LogD (pH 5.5): 12.08
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 12.08
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 20 Å2
    Polarizability: 74.3±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 567.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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