ChemSpider 2D Image | 3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 3,6-dideoxy-3-(dimethylamino)-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranoside | C37H59NO12

3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 3,6-dideoxy-3-(dimethylamino)-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranoside

  • Molecular FormulaC37H59NO12
  • Average mass709.864 Da
  • Monoisotopic mass709.403748 Da
  • ChemSpider ID4423246

More details:

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

3,6-Didésoxy-3-(diméthylamino)-4-O-(6-méthyl-5-oxotétrahydro-2H-pyran-2-yl)hexopyranoside de 3-éthyl-7-hydroxy-2,8,12,16-tétraméthyl-5,13-dioxo-10-(2-oxoéthyl)-4,17-dioxabicyclo[14.1.0]heptadéc-14-én- 9-yle [French] [ACD/IUPAC Name]
3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl 3,6-dideoxy-3-(dimethylamino)-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranoside [ACD/IUPAC Name]
3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl-3,6-didesoxy-3-(dimethylamino)-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosid [German] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadec-14-ene-10-acetaldehyde, 9-[[3,6-dideoxy-3-(dimethylamino)-4-O-(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)hexopyranosyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13 -dioxo- [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: 839.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.7±6.0 kJ/mol
Flash Point: 461.4±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 182.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.19
ACD/KOC (pH 7.4): 122.32
Polar Surface Area: 171 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 583.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement