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

α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4 )-2-acetamido-2-deoxy-D-glucopyranose

  • Molecular FormulaC46H78N2O36
  • Average mass1235.103 Da
  • Monoisotopic mass1234.433472 Da
  • ChemSpider ID88294214
  • defined stereocentres - 34 of 35 defined stereocentres


More details:






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

D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2- deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4 )-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1-> 4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1-> 4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
missing
WURCS=2.0/4,7,6/[u2122h2*NCC/3=O][a2122h-1b1-52*NCC/3=O][a1122h-1b1-5][a1122h-1a1-5]/1-2-3-4-4-4-4/a4-b1b4-c1c3-d1c6-e1e3-f1e6-g1
α-D-manno-hexopyranosyl-(1->3)-[α-D-manno-hexopyranosyl-(1->6)]-α-D-manno-hexopyranosyl-(1->6)-[α-D-manno-hexopyranosyl-(1->3)]-β-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • Miscellaneous
    • Chemical Class:

      An aminoheptasaccharide that is the MAN-3 glycan, alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc, in which the (1->6) linked mannosyl group has been glyco sylated at positions 3 and 6 by alpha-D-mannopyranosyl groups. ChEBI CHEBI:146236

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1579.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 275.9±6.0 kJ/mol
Flash Point: 908.8±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 262.4±0.4 cm3
#H bond acceptors: 38
#H bond donors: 23
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -9.69
ACD/LogD (pH 5.5): -10.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 603 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 120.6±5.0 dyne/cm
Molar Volume: 689.2±5.0 cm3

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