ChemSpider 2D Image | Bicyclomycin Benzoate | C19H22N2O8

Bicyclomycin Benzoate

  • Molecular FormulaC19H22N2O8
  • Average mass406.387 Da
  • Monoisotopic mass406.137604 Da
  • ChemSpider ID30646770

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S)-2,3-Dihydroxy-3-[(1S,6R)-6-hydroxy-5-methylen-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]dec-1-yl]-2-methylpropyl-benzoat [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Dihydroxy-3-[(1S,6R)-6-hydroxy-5-methylene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]dec-1-yl]-2-methylpropyl benzoate [ACD/IUPAC Name]
2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 1-[(1S,2S)-3-(benzoyloxy)-1,2-dihydroxy-2-methylpropyl]-6-hydroxy-5-methylene-, (1S,6R)- [ACD/Index Name]
37134-40-0 [RN]
3'-benzoate bicyclomycin
Benzoate de (2S,3S)-2,3-dihydroxy-3-[(1S,6R)-6-hydroxy-5-méthylène-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]déc-1-yl]-2-méthylpropyle [French] [ACD/IUPAC Name]
Bicyclomycin Benzoate
(2S,3S)-2,3-dihydroxy-3-((1S,6R)-6-hydroxy-5-methylene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl)-2-methylpropyl benzoate
[(2S,3S)-2,3-dihydroxy-3-[(1R,6S)-1-hydroxy-2-methylidene-7,9-dioxo-5-oxa-8,10-diazabicyclo[4.2.2]decan-6-yl]-2-methylpropyl] benzoate
[(2S,3S)-2,3-dihydroxy-3-[(1S,6R)-6-hydroxy-5-methylidene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl]-2-methylpropyl] benzoate
More...

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

Q13015IJTU [DBID]
UNII:Q13015IJTU [DBID]
UNII-Q13015IJTU [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 788.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.3±3.0 kJ/mol
    Flash Point: 430.7±32.9 °C
    Index of Refraction: 1.640
    Molar Refractivity: 98.1±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 1.87
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 4.40
    ACD/KOC (pH 5.5): 100.47
    ACD/LogD (pH 7.4): 1.14
    ACD/BCF (pH 7.4): 4.36
    ACD/KOC (pH 7.4): 99.62
    Polar Surface Area: 154 Å2
    Polarizability: 38.9±0.5 10-24cm3
    Surface Tension: 74.8±5.0 dyne/cm
    Molar Volume: 272.5±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement