ChemSpider 2D Image | Ethyl (6R)-5-acetamido-3,5-dideoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside | C25H43NO19

Ethyl (6R)-5-acetamido-3,5-dideoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC25H43NO19
  • Average mass661.604 Da
  • Monoisotopic mass661.242920 Da
  • ChemSpider ID8071922

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(6R)-5-Acétamido-3,5-didésoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranoside d'éthyle [French] [ACD/IUPAC Name]
Ethyl (6R)-5-acetamido-3,5-dideoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
Ethyl-(6R)-5-acetamido-3,5-didesoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, ethyl O-5-(acetylamino)-3,5-dideoxy-D-glycero-β-L-altro-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1083.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 179.8±6.0 kJ/mol
Flash Point: 609.1±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -7.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 398.4±5.0 cm3

Click to predict properties on the Chemicalize site


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