ChemSpider 2D Image | [(2R,3S,4E,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-4,14-dien-3-yl]methyl 6-deoxy-2,3-di- O-methyl-beta-D-allopyranoside | C37H63NO12

[(2R,3S,4E,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-4,14-dien-3-yl]methyl 6-deoxy-2,3-di- O-methyl-β-D-allopyranoside

  • Molecular FormulaC37H63NO12
  • Average mass713.896 Da
  • Monoisotopic mass713.434998 Da
  • ChemSpider ID61713115

  • 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,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-4,14-dien-3-yl]methyl 6-deoxy-2,3-di- O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
[(2R,3S,4E,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-4,14-dien-3-yl]methyl-6-desoxy-2,3-d i-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de [(2R,3S,4E,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}oxa cyclohexadéca-4,14-dién-3-yl]méthyle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,13-diene-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-hexopyranosy l]oxy]-, (3E,5S,6S,7S,9R,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: 819.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.5±6.0 kJ/mol
Flash Point: 449.2±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 187.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.97
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 31.38
ACD/KOC (pH 7.4): 253.43
Polar Surface Area: 163 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 604.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement