ChemSpider 2D Image | ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-1-thio-beta-D-galactopyranoside | C19H33NO13S

ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl]-1-thio-β-D-galactopyranoside

  • Molecular FormulaC19H33NO13S
  • Average mass515.529 Da
  • Monoisotopic mass515.167236 Da
  • ChemSpider ID26328805

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

3-O-{(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl}-1-thio-β-D-galactopyranoside d'éthyle [French] [ACD/IUPAC Name]
ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl]-1-thio-β-D-galactopyranoside
Ethyl 3-O-{(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}-1-thio-β-D-galactopyranoside [ACD/IUPAC Name]
Ethyl-3-O-{(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}-1-thio-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl]-1-thio- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 949.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.7±6.0 kJ/mol
Flash Point: 527.9±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -5.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 261 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 322.0±5.0 cm3

Click to predict properties on the Chemicalize site


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