ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-(3xi)-beta-D-xylo-hexopyranosyl-(1->4)-D-glucitol | C23H41NO19

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-D-glucitol

  • Molecular FormulaC23H41NO19
  • Average mass635.567 Da
  • Monoisotopic mass635.227295 Da
  • ChemSpider ID111451

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-D-glucitol [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-D-glucitol [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-(3ξ)-β-D-xylo-hexopyranosyl-(1->4)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O(3ξ)-β-D-xylo-hexopyranosyl-(1->4)- [ACD/Index Name]
65907-88-2 [RN]
D-Glucitol, O-(N-acetyl-α-neuraminosyl)-(2-3)-O-β-D-galactopyranosyl-(1-4)
N-Acetylneuramin(α 2-3)lactitol
N-Acetylneuramin-lactitol
Neuramin lactitol
Neuraminyllactitol
More...

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1143.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.5±6.0 kJ/mol
Flash Point: 645.1±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 20
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -4.35
ACD/LogD (pH 5.5): -8.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 114.8±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement