ChemSpider 2D Image | Ethyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-ga lactopyranoside | C33H56N2O24

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

  • Molecular FormulaC33H56N2O24
  • Average mass864.797 Da
  • Monoisotopic mass864.322327 Da
  • ChemSpider ID9269259

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galact opyranoside d'éthyle [French] [ACD/IUPAC Name]
Ethyl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-ga lactopyranoside [ACD/IUPAC Name]
Ethyl-(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D- galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, ethyl O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-> 3)- [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: 1279.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 215.8±6.0 kJ/mol
Flash Point: 727.7±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 187.8±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -6.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 412 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 520.6±5.0 cm3

Click to predict properties on the Chemicalize site


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