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Search term: XNODZYPOIPVPRF-CGWDHHCXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Annonacin | C35H64O7

Annonacin

  • Molecular FormulaC35H64O7
  • Average mass596.878 Da
  • Monoisotopic mass596.465210 Da
  • ChemSpider ID314587

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(+)-Annonacin
(5S)-5-Methyl-3-[(2R,8R,13R)-2,8,13-trihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}tridecyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-Methyl-3-[(2R,8R,13R)-2,8,13-trihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}tridecyl]-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-Méthyl-3-[(2R,8R,13R)-2,8,13-trihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridécyl]tétrahydro-2-furanyl}tridécyl]-2(5H)-furanone [French] [ACD/IUPAC Name]
(5S)-5-methyl-3-[(2R,8R,13R)-2,8,13-trihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydrofuran-2-yl}tridecyl]furan-2(5H)-one
111035-65-5 [RN]
2(5H)-Furanone, 5-methyl-3-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]tridecyl]-, (5S)- [ACD/Index Name]
40372ET6TM
Annonacin
(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCI60_004657 [DBID]
NSC606194 [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: 756.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.8 mmHg at 25°C
    Enthalpy of Vaporization: 125.7±6.0 kJ/mol
    Flash Point: 227.0±25.0 °C
    Index of Refraction: 1.506
    Molar Refractivity: 169.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 26
    #Rule of 5 Violations: 2
    ACD/LogP: 6.36
    ACD/LogD (pH 5.5): 7.29
    ACD/BCF (pH 5.5): 205904.52
    ACD/KOC (pH 5.5): 221359.19
    ACD/LogD (pH 7.4): 7.29
    ACD/BCF (pH 7.4): 205904.52
    ACD/KOC (pH 7.4): 221359.19
    Polar Surface Area: 116 Å2
    Polarizability: 67.0±0.5 10-24cm3
    Surface Tension: 43.1±3.0 dyne/cm
    Molar Volume: 568.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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