ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-gluco pyranose | C40H68N2O31

β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)]-β-D-galactopyranosyl-(1->4)-D-gluco pyranose

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID26331826

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

D-Glucopyranose, O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-[O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->;6)]-O-bet ;a-D-galactopyranosyl-(1->4)- [ACD/Index Name]
β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)]-β-D-galactopyranosyl-(1->4)-D-gluco ;pyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)]-β-D-galactopyranosyl-(1->4)-D-glu ;copyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)]-β-D-galactopyranosyl-(1->4)-D-glu ;copyranose [French] [ACD/IUPAC Name]
(Gal)3 (Glc)1 (GlcNAc)2
64003-51-6 [RN]
Galbeta1-4GlcNAcbeta1-6(Galbeta1-3GlcNAcbeta1-3)Galbeta1-4Glc
Lacto-N-hexaose
LNH
missing
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

11895623 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1435.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 246.3±6.0 kJ/mol
Flash Point: 821.9±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 228.7±0.4 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -7.15
ACD/LogD (pH 5.5): -7.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 524 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 116.1±5.0 dyne/cm
Molar Volume: 606.7±5.0 cm3

Click to predict properties on the Chemicalize site


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