ChemSpider 2D Image | p-Lacto-N-hexaose | C40H68N2O31

p-Lacto-N-hexaose

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID35518829

  • defined stereocentres - 28 of 29 defined stereocentres

More details:

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

64331-48-2 [RN]
D-xylo-Hexose, 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)-, (4ξ)- [ACD/Index Name]
p-Lacto-N-hexaose
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->3)-β-D-galactopyranosyl-(1->4)-(4ξ)-D-x ylo-hexose [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->3)-β-D-galactopyranosyl-(1->4)-(4ξ)-D -xylo-hexose [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->3)-β-D-galactopyranosyl-(1->4)-(4ξ)-D -xylo-hexose [French] [ACD/IUPAC Name]
MFCD01310382
Para-lacto-N-hexaose
para-Lacto-N-neohexaose
p-Lacto-N-hexaose (pLNH)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 1478.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 255.1±6.0 kJ/mol
Flash Point: 848.2±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 229.3±0.4 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -5.40
ACD/LogD (pH 5.5): -6.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 532 Å2
Polarizability: 90.9±0.5 10-24cm3
Surface Tension: 113.8±5.0 dyne/cm
Molar Volume: 615.8±5.0 cm3

Click to predict properties on the Chemicalize site


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