ChemSpider 2D Image | N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[(3S)-14-methoxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}acetamide | C29H35NO8

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[(3S)-14-methoxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}acetamide

  • Molecular FormulaC29H35NO8
  • Average mass525.590 Da
  • Monoisotopic mass525.236267 Da
  • ChemSpider ID17470655

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, 2-[[(3S)-3,4,5,6,7,8,9,10,11,12-decahydro-14-methoxy-3-methyl-1,7-dioxo-1H-2-benzoxacyclotetradecin-16-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)- [ACD/Index Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[(3S)-14-methoxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}acetamid [German] [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[(3S)-14-methoxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}acetamide [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[(3S)-14-méthoxy-3-méthyl-1,7-dioxo-3,4,5,6,7,8,9,10,11,12-décahydro-1H-2-benzoxacyclotétradécin-16-yl]oxy}acétamide [French] [ACD/IUPAC Name]
1212389-68-8 [RN]
MCULE-7642058991
MolPort-002-533-145
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(11S)-17-methoxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-trien-15-yl]oxy]acetamide
STOCK1N-64653
ZINC12887417

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 798.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 116.0±3.0 kJ/mol
    Flash Point: 436.4±32.9 °C
    Index of Refraction: 1.554
    Molar Refractivity: 139.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.14
    ACD/LogD (pH 5.5): 4.01
    ACD/BCF (pH 5.5): 662.54
    ACD/KOC (pH 5.5): 3639.31
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 662.55
    ACD/KOC (pH 7.4): 3639.37
    Polar Surface Area: 109 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 45.5±3.0 dyne/cm
    Molar Volume: 436.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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