ChemSpider 2D Image | [(2R,3S,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-3-hydroxy-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-2 ,3-di-O-methyl-beta-D-allopyranoside | C37H61NO12

[(2R,3S,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-3-hydroxy-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-2 ,3-di-O-methyl-β-D-allopyranoside

  • Molecular FormulaC37H61NO12
  • Average mass711.880 Da
  • Monoisotopic mass711.419373 Da
  • ChemSpider ID30790942

  • 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,3S,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-3-hydroxy-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-2 ,3-di-O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
[(2R,3S,4E,6E,9R,11S,12S,13S,14E)-2-Ethyl-3-hydroxy-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 -2,3-di-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de [(2R,3S,4E,6E,9R,11S,12S,13S,14E)-2-éthyl-3-hydroxy-9,11,13-triméthyl-8,16-dioxo-12-{[3,4,6-tridésoxy-3-(diméthylamino)-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-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyra nosyl]oxy]-, (3E,5S,6S,7S,9R,11E,13E,15S,16R)- [ACD/Index Name]
Mycinamicin V
MYV

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

Density: 1.2±0.1 g/cm3
Boiling Point: 828.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 454.9±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 187.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.35
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 18.03
ACD/KOC (pH 7.4): 170.49
Polar Surface Area: 163 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 597.3±5.0 cm3

Click to predict properties on the Chemicalize site


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