ChemSpider 2D Image | (3R,4S)-11-Ethyl-3-methyl-2-oxoazacyclotetradecan-4-yl 3,6-dideoxy-3-(methylamino)-alpha-L-talopyranoside | C23H44N2O5

(3R,4S)-11-Ethyl-3-methyl-2-oxoazacyclotetradecan-4-yl 3,6-dideoxy-3-(methylamino)-α-L-talopyranoside

  • Molecular FormulaC23H44N2O5
  • Average mass428.606 Da
  • Monoisotopic mass428.325012 Da
  • ChemSpider ID28476904

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3R,4S)-11-Ethyl-3-methyl-2-oxoazacyclotetradecan-4-yl 3,6-dideoxy-3-(methylamino)-α-L-talopyranoside [ACD/IUPAC Name]
(3R,4S)-11-Ethyl-3-methyl-2-oxoazacyclotetradecan-4-yl-3,6-didesoxy-3-(methylamino)-α-L-talopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(méthylamino)-α-L-talopyranoside de (3R,4S)-11-éthyl-3-méthyl-2-oxoazacyclotétradécan-4-yle [French] [ACD/IUPAC Name]
Azacyclotetradecan-2-one, 4-[[3,6-dideoxy-3-(methylamino)-α-L-talopyranosyl]oxy]-11-ethyl-3-methyl-, (3R,4S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400184/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 331.8±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.46
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 29.59
ACD/KOC (pH 7.4): 201.80
Polar Surface Area: 100 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 392.2±5.0 cm3

Click to predict properties on the Chemicalize site


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