ChemSpider 2D Image | Spinosyn A | C41H65NO10

Spinosyn A

  • Molecular FormulaC41H65NO10
  • Average mass731.956 Da
  • Monoisotopic mass731.460876 Da
  • ChemSpider ID34451175

  • defined stereocentres - 16 of 17 defined stereocentres

More details:

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

(2R,3aS,5aS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as- ;indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
131929-60-7 [RN]
1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,5a,5b ,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-, (2R,3aS,5aS,9S,13S,14R,16aS,16bR)- [ACD/Index Name]
Spinosyn A
131929-60-7 (D)
168316-95-8 [RN]
MFCD01753923
Spinosad [USAN] [Wiki]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 801.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 116.5±3.0 kJ/mol
    Flash Point: 438.5±34.3 °C
    Index of Refraction: 1.540
    Molar Refractivity: 196.9±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 4.80
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 5.89
    ACD/KOC (pH 5.5): 19.72
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 219.25
    ACD/KOC (pH 7.4): 734.33
    Polar Surface Area: 111 Å2
    Polarizability: 78.1±0.5 10-24cm3
    Surface Tension: 45.8±5.0 dyne/cm
    Molar Volume: 627.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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