ChemSpider 2D Image | Man3GlcNAcFucGlcNAc | C40H68N2O30

Man3GlcNAcFucGlcNAc

  • Molecular FormulaC40H68N2O30
  • Average mass1056.963 Da
  • Monoisotopic mass1056.385742 Da
  • ChemSpider ID24606124

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->;6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deox y-β-D-glucopyranose [ACD/IUPAC Name]
6-Deoxy-α-L-galactopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->;6)]-β-D-mannopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1- >4)]-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-de soxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)]-2-acétamido-2-dé soxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1 ->4)]-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-( 1->;4)]-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Man3GlcNAcFucGlcNAc
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->6)-O-[O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-gluco pyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->6)-O-[O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-2-deoxy-2-[[(1E)-1-hydroxyethylidene ]amino]-β-D-glucopyranosyl-(1->4)]-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
6-deoxy-α-L-galactopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->;6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranoseMan(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc
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  • Miscellaneous

    • Chemical Class:

      A branched amino hexasaccharide consisting of beta-D-mannosyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-beta-D-glucosamine residues all linked sequentially (1->4), to the mannosyl residue of which ar e linked two alpha-D-mannosyl residues via (1->3) and (1->6) glycosidic linkages while the N-acetyl-beta-D-glucosamine at the reducing end carries also via a (1->6) linkage an alpha-L-fucosyl residue. ChEBI CHEBI:167681

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1368.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 233.0±6.0 kJ/mol
Flash Point: 781.3±37.1 °C
Index of Refraction: 1.720
Molar Refractivity: 208.6±0.5 cm3
#H bond acceptors: 32
#H bond donors: 19
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -4.73
ACD/LogD (pH 5.5): -5.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 511 Å2
Polarizability: 82.7±0.5 10-24cm3
Surface Tension: 85.2±7.0 dyne/cm
Molar Volume: 528.4±7.0 cm3

Click to predict properties on the Chemicalize site


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