ChemSpider 2D Image | [12-{[3,6-Dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-11-(2,2-dimethoxyethyl)-2-ethyl-5,9,13-trimethyl-8,14,16-trioxooxacyclohexadecan-3-yl]methyl 4-O-acetyl-6-deoxy-2,3-di-O-methyl-beta-D-al tropyranoside | C43H75NO16

[12-{[3,6-Dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-11-(2,2-dimethoxyethyl)-2-ethyl-5,9,13-trimethyl-8,14,16-trioxooxacyclohexadecan-3-yl]methyl 4-O-acetyl-6-deoxy-2,3-di-O-methyl-β-D-al tropyranoside

  • Molecular FormulaC43H75NO16
  • Average mass862.053 Da
  • Monoisotopic mass861.508606 Da
  • ChemSpider ID8094755

  • defined stereocentres - 10 of 17 defined stereocentres

More details:

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

[12-{[3,6-Dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-11-(2,2-dimethoxyethyl)-2-ethyl-5,9,13-trimethyl-8,14,16-trioxooxacyclohexadecan-3-yl]methyl 4-O-acetyl-6-deoxy-2,3-di-O-methyl-β-D-al tropyranoside [ACD/IUPAC Name]
[12-{[3,6-Didesoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-11-(2,2-dimethoxyethyl)-2-ethyl-5,9,13-trimethyl-8,14,16-trioxooxacyclohexadecan-3-yl]methyl-4-O-acetyl-6-desoxy-2,3-di-O-methyl-β-D- altropyranosid [German] [ACD/IUPAC Name]
4-O-Acétyl-6-désoxy-2,3-di-O-méthyl-β-D-altropyranoside de [12-{[3,6-didésoxy-3-(diméthylamino)-β-D-glucopyranosyl]oxy}-11-(2,2-diméthoxyéthyl)-2-éthyl-5,9,13-triméthyl-8,14,16-trioxooxacyclohex adécan-3-yl]méthyle [French] [ACD/IUPAC Name]
Oxacyclohexadecane-2,4,10-trione, 15-[[(4-O-acetyl-6-deoxy-2,3-di-O-methyl-β-D-altropyranosyl)oxy]methyl]-6-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-7-(2,2-dimethoxyethyl)-16-ethy l-5,9,13-trimethyl- [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: 879.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 486.0±34.3 °C
Index of Refraction: 1.514
Molar Refractivity: 219.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 15.18
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 67.08
ACD/KOC (pH 7.4): 578.35
Polar Surface Area: 204 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 729.1±5.0 cm3

Click to predict properties on the Chemicalize site


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