ChemSpider 2D Image | Mycinamicin IV | C37H61NO11

Mycinamicin IV

  • Molecular FormulaC37H61NO11
  • Average mass695.880 Da
  • Monoisotopic mass695.424438 Da
  • ChemSpider ID65322783

  • 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,4Z,6Z,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-2,3-di-O-me thyl-β-D-allopyranoside [ACD/IUPAC Name]
[(2R,3R,4Z,6Z,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-2,3-di-O- methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de [(2R,3R,4Z,6Z,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}oxacyclohe xadéca-4,6,14-trién-3-yl]méthyle [French] [ACD/IUPAC Name]
Mycinamicin IV
Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methyl-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,9R,11Z,13Z,15R,16R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 801.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.7±6.0 kJ/mol
Flash Point: 438.4±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 186.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 10.10
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 84.46
ACD/KOC (pH 7.4): 514.95
Polar Surface Area: 142 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 600.4±5.0 cm3

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