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-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-beta-D-allo pyranoside | C35H57NO11

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

  • Molecular FormulaC35H57NO11
  • Average mass667.827 Da
  • Monoisotopic mass667.393188 Da
  • ChemSpider ID26328096

  • 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-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-β-D-allo pyranoside [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-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl-6-desoxy-β-D-al lopyranosid [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-(diméthylamino)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadéca-4,6,14-tr ién-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]-, (3E,5S,6S,7S,9 R,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-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-β-D-allo
[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-β-D-allopyranoside
MVI
mycinamicin VI
pyranoside
  • Miscellaneous

    • Chemical Class:

      A mycinamicin composed of a 16-membered ring macrolactone core, an <element>N</element>,<element>N</element>-dimethylated deoxysugar desosamine and a 6-deoxysugar 6-deoxyallose. ChEBI CHEBI:63285

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
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: 1.553
Molar Refractivity: 176.3±0.4 cm3
#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: 164 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 550.9±5.0 cm3

Click to predict properties on the Chemicalize site


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