ChemSpider 2D Image | [(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylammonio)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-beta-D-al lopyranoside | C35H58NO11

[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylammonio)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-β-D-al lopyranoside

  • Molecular FormulaC35H58NO11
  • Average mass668.835 Da
  • Monoisotopic mass668.400452 Da
  • ChemSpider ID26333092

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylammonio)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-β-D-al lopyranoside [ACD/IUPAC Name]
[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-tridesoxy-3-(dimethylammonio)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl-6-desoxy-β-D- allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-allopyranoside de [(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-éthyl-9,11,13-triméthyl-8,16-dioxo-12-{[3,4,6-tridésoxy-3-(diméthylammonio)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadéca-4,6,14- trién-3-yl]méthyle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-[[(6-deoxy-β-D-allopyranosyl)oxy]methyl]-16-ethyl-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, conjugate acid , (3E,5S,6S,7S,9R,11E,13E,15R,16R)- [ACD/Index Name]
[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-β-D-
[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-β-D-allopyranoside
allopyranoside
mycinamicin VI
mycinamicin VI cation
mycinamicin VI(1+)
  • Miscellaneous

    • Chemical Class:

      A mycinamicin cation that is the conjugate acid of mycinamicin VI, obtained by protnation of the tertiary amino group. ChEBI CHEBI:63311

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

Density:
Boiling Point: 814.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 446.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 6.65
ACD/KOC (pH 7.4): 83.45
Polar Surface Area: 166 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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