ChemSpider 2D Image | wilfordine | C43H49NO19

wilfordine

  • Molecular FormulaC43H49NO19
  • Average mass883.844 Da
  • Monoisotopic mass883.289856 Da
  • ChemSpider ID390977

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexac osa-7,9,11-trien-19-yl benzoate [ACD/IUPAC Name]
(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexac osa-7,9,11-trien-19-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tétraacétoxy-21-(acétoxyméthyl)-15,26-dihydroxy-3,15,26-triméthyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.0 7,12]hexacosa-7,9,11-trién-19-yle [French] [ACD/IUPAC Name]
wilfordine
(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9,11-trien-19-yl benzoate (non-preferred name)
(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9,11-trien-19-yl benzoate
37239-51-3 [RN]
MFCD20133904
WILFORDIN
wtlfordine

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

C09992 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 895.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 136.4±3.0 kJ/mol
    Flash Point: 495.4±34.3 °C
    Index of Refraction: 1.598
    Molar Refractivity: 208.8±0.4 cm3
    #H bond acceptors: 20
    #H bond donors: 2
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 3
    ACD/LogP: 5.05
    ACD/LogD (pH 5.5): 4.41
    ACD/BCF (pH 5.5): 1311.38
    ACD/KOC (pH 5.5): 5928.06
    ACD/LogD (pH 7.4): 4.41
    ACD/BCF (pH 7.4): 1315.03
    ACD/KOC (pH 7.4): 5944.57
    Polar Surface Area: 273 Å2
    Polarizability: 82.8±0.5 10-24cm3
    Surface Tension: 68.5±5.0 dyne/cm
    Molar Volume: 612.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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