ChemSpider 2D Image | Lacto-N-tetraose | C26H45NO21

Lacto-N-tetraose

  • Molecular FormulaC26H45NO21
  • Average mass707.630 Da
  • Monoisotopic mass707.248413 Da
  • ChemSpider ID8072176

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

14116-68-8 [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)- [ACD/Index Name]
Lacto-N-tetraose
β-D-Galactopyranosyl-(1->3)-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)-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)-D-glucose [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1173.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 196.0±6.0 kJ/mol
Flash Point: 663.6±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -4.68
ACD/LogD (pH 5.5): -5.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 365 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 109.8±5.0 dyne/cm
Molar Volume: 410.9±5.0 cm3

Click to predict properties on the Chemicalize site


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