ChemSpider 2D Image | (5R,6R,9S)-5,9,13-Triethyl-14-oxoazacyclotetradecan-6-yl 3-amino-3,6-dideoxy-alpha-D-talopyranoside | C25H48N2O5

(5R,6R,9S)-5,9,13-Triethyl-14-oxoazacyclotetradecan-6-yl 3-amino-3,6-dideoxy-α-D-talopyranoside

  • Molecular FormulaC25H48N2O5
  • Average mass456.659 Da
  • Monoisotopic mass456.356323 Da
  • ChemSpider ID68024560

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(5R,6R,9S)-5,9,13-Triethyl-14-oxoazacyclotetradecan-6-yl 3-amino-3,6-dideoxy-α-D-talopyranoside [ACD/IUPAC Name]
(5R,6R,9S)-5,9,13-Triethyl-14-oxoazacyclotetradecan-6-yl-3-amino-3,6-didesoxy-α-D-talopyranosid [German] [ACD/IUPAC Name]
3-Amino-3,6-didésoxy-α-D-talopyranoside de (5R,6R,9S)-5,9,13-triéthyl-14-oxoazacyclotétradécan-6-yle [French] [ACD/IUPAC Name]
Azacyclotetradecan-2-one, 10-[(3-amino-3,6-dideoxy-α-D-talopyranosyl)oxy]-3,7,11-triethyl-, (7S,10R,11R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.6±6.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 9.02
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 73.70
ACD/KOC (pH 7.4): 457.71
Polar Surface Area: 114 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

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