ChemSpider 2D Image | [(4E,14E)-12-{[3,6-Dideoxy-3-(dimethylamino)hexopyranosyl]oxy}-2-ethyl-9,11,13-trimethyl-8,16-dioxooxacyclohexadeca-4,14-dien-3-yl]methyl 6-deoxy-2,3-di-O-methylhexopyranoside | C37H63NO12

[(4E,14E)-12-{[3,6-Dideoxy-3-(dimethylamino)hexopyranosyl]oxy}-2-ethyl-9,11,13-trimethyl-8,16-dioxooxacyclohexadeca-4,14-dien-3-yl]methyl 6-deoxy-2,3-di-O-methylhexopyranoside

  • Molecular FormulaC37H63NO12
  • Average mass713.896 Da
  • Monoisotopic mass713.434998 Da
  • ChemSpider ID57487146

  • Double-bond stereo - Double-bond stereo

More details:

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

[(4E,14E)-12-{[3,6-Dideoxy-3-(dimethylamino)hexopyranosyl]oxy}-2-ethyl-9,11,13-trimethyl-8,16-dioxooxacyclohexadeca-4,14-dien-3-yl]methyl 6-deoxy-2,3-di-O-methylhexopyranoside [ACD/IUPAC Name]
[(4E,14E)-12-{[3,6-Didesoxy-3-(dimethylamino)hexopyranosyl]oxy}-2-ethyl-9,11,13-trimethyl-8,16-dioxooxacyclohexadeca-4,14-dien-3-yl]methyl-6-desoxy-2,3-di-O-methylhexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-méthylhexopyranoside de [(4E,14E)-12-{[3,6-didésoxy-3-(diméthylamino)hexopyranosyl]oxy}-2-éthyl-9,11,13-triméthyl-8,16-dioxooxacyclohexadéca-4,14-dién-3-yl]méthyle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,13-diene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-3-(dimethylamino)hexopyranosyl]oxy]-16-ethyl-5,7,9-trimethyl-, (3E,13E)- [ACD/Index Name]
Dedesosaminyl-5-O-mycaminosyl-10,11-dihydromycinamicin IV

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

Density: 1.2±0.1 g/cm3
Boiling Point: 823.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.1±6.0 kJ/mol
Flash Point: 451.6±34.3 °C
Index of Refraction: 1.533
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: 4.54
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 18.37
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 88.50
ACD/KOC (pH 7.4): 704.51
Polar Surface Area: 163 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 604.8±5.0 cm3

Click to predict properties on the Chemicalize site


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