ChemSpider 2D Image | para-Lacto-N-octaose | C54H91N3O41

para-Lacto-N-octaose

  • Molecular FormulaC54H91N3O41
  • Average mass1438.296 Da
  • Monoisotopic mass1437.512817 Da
  • ChemSpider ID17216404

  • defined stereocentres - 37 of 39 defined stereocentres

More details:

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

para-Lacto-N-octaose
150517-85-4 [RN]
D-Glucose, O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->;3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-D-galacto ;pyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-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-galactopyranosyl-(1->3)-D-galactopyranosyl-(1->4)-2-acetamido- 
2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [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-galactopyranosyl-(1->3)-D-galactopyranosyl-(1->4)-2-acetamid 
o-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [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-galactopyranosyl-(1->3)-D-galactopyranosyl-(1->4)-2-acétamid 
o-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- D-Glucose
O-β-δ-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-δ-glucopyranosyl-(1->3)-O-β-δ-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-δ-glucopyranosyl-(1->3)-O-β-δ-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-δ-glucopyranosyl-(1->3)-O-β-δ-galactopyranosyl-(1->4)- D-Glucose
N-[(2S,3R,4R,5S,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,4R,5R,6S)-6-{[(3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-2-(hydro
oxymethyl)oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
More...

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1735.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 309.8±6.0 kJ/mol
Flash Point: 1003.2±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 308.3±0.4 cm3
#H bond acceptors: 44
#H bond donors: 26
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -6.24
ACD/LogD (pH 5.5): -7.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 699 Å2
Polarizability: 122.2±0.5 10-24cm3
Surface Tension: 116.8±5.0 dyne/cm
Molar Volume: 819.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement