ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-[beta-D-mannopyranosyl-(1->4)]-[alpha-D-mannopyranosyl-(1->2)-[alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1 ->5)]-2-acetamido-2-deoxy-D-glucose | C46H78N2O36

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[β-D-mannopyranosyl-(1->4)]-[α-D-mannopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-α-D-mannopyranosyl-(1 ->5)]-2-acetamido-2-deoxy-D-glucose

  • Molecular FormulaC46H78N2O36
  • Average mass1235.103 Da
  • Monoisotopic mass1234.433472 Da
  • ChemSpider ID2339143

  • defined stereocentres - 34 of 34 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[β-D-mannopyranosyl-(1->4)]-[α-D-mannopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-α-D-mannopyranosyl-(1 ->5)]-2-acetamido-2-deoxy-D-glucose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->;6)]-[β-D-mannopyranosyl-(1->4)]-[α-D-mannopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-α-D-mannopyranosyl-( 1->5)]-2-acetamido-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->;6)]-[β-D-mannopyranosyl-(1->4)]-[α-D-mannopyranosyl-(1->2)-[α-D-mannopyranosyl-(1->3)]-α-D-mannopyranosyl-( 1->5)]-2-acétamido-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-O-[β-D-mannopyranosyl-(1->4)]-O-[O-α-D-mannopyranosyl-(1->2)-O-[α-D-mannopyranosyl-(1->3) ]-α-D-mannopyranosyl-(1->5)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
70573-04-5 [RN]
D-Glucose, O-α-D-mannopyranosyl-(1-6)-O-(O-α-L-mannopyranosyl-(1-2)-O-α-L-mannopyranosyl-(1-2)-α-L-mannopyranosyl-(1-3))-O-β-D-mannopyranosyl-(1-3(or 1-4))-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
D-GLUCOSE,O-A-D-MANNOPYRANOSYL-(1-6)-O-(O-A-L-MANNOPYRANOSYL-(1-2)-O-A-L-MANNOPYRANOSYL-(1-2)-A-L-MANNOPYRANOSYL-(1-3))-O-SS-D-MANNOPYRANOSYL-(1-3(OR 1-4))-O-2-(ACETYLAMINO)-2-DEOXY-SS-D-GLUCOPYRANOSYL-(1-4)-2-(ACETYLAMINO)-2-DEOXY-
Man5GlcNAc2
Mannosyl(5)-N-acetyl(2)-glucose

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1593.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 278.9±6.0 kJ/mol
Flash Point: 917.3±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 263.1±0.4 cm3
#H bond acceptors: 38
#H bond donors: 23
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -8.97
ACD/LogD (pH 5.5): -9.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 611 Å2
Polarizability: 104.3±0.5 10-24cm3
Surface Tension: 118.5±5.0 dyne/cm
Molar Volume: 698.4±5.0 cm3

Click to predict properties on the Chemicalize site


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