ChemSpider 2D Image | (16S,17R,19E)-1,2-Didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate | C21H22N2O2

(16S,17R,19E)-1,2-Didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate

  • Molecular FormulaC21H22N2O2
  • Average mass334.412 Da
  • Monoisotopic mass334.168121 Da
  • ChemSpider ID58802110

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(16S,17R,19E)-1,2-Didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate [ACD/IUPAC Name]
(16S,17R,19E)-1,2-Didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl-acetat [German] [ACD/IUPAC Name]
7,17-Cyclosarpagan-17-ol, 1,2-didehydro-2,7-dihydro-, acetate (ester), (16S,17R)- [ACD/Index Name]
Acétate de (16S,17R,19E)-1,2-didéhydro-2,7-dihydro-7,17-cyclosarpagan-17-yle [French] [ACD/IUPAC Name]
21-Deoxyvomilenine
34020-07-0 [RN]
MFCD26406036
vinorine

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 471.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.5±3.0 kJ/mol
    Flash Point: 239.2±28.7 °C
    Index of Refraction: 1.782
    Molar Refractivity: 93.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 10.24
    ACD/KOC (pH 5.5): 138.29
    ACD/LogD (pH 7.4): 2.20
    ACD/BCF (pH 7.4): 27.35
    ACD/KOC (pH 7.4): 369.43
    Polar Surface Area: 42 Å2
    Polarizability: 37.0±0.5 10-24cm3
    Surface Tension: 58.5±7.0 dyne/cm
    Molar Volume: 222.4±7.0 cm3

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