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Search term: RTIMYFZVHHPZAG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Man3GlcNAc | C26H45NO21

3-Man3GlcNAc

  • Molecular FormulaC26H45NO21
  • Average mass707.630 Da
  • Monoisotopic mass707.248413 Da
  • ChemSpider ID24606099

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

3-Man3GlcNAc
α-D-Glucopyranose, O-α-D-mannopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-D-Mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-glucopyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-α-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-α-D-glucopyranose [French] [ACD/IUPAC Name]
Man-α-1-2Man-α-1-3Man-β-1-4GlcNAc

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1146.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 191.1±6.0 kJ/mol
Flash Point: 647.4±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.71
ACD/LogD (pH 5.5): -4.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 113.0±5.0 dyne/cm
Molar Volume: 401.8±5.0 cm3

Click to predict properties on the Chemicalize site


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