ChemSpider 2D Image | 6-Deoxy-beta-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-(3xi)-2-acetamido-2-deoxy-alpha-D-ribo-hexopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose | C32H55NO25

6-Deoxy-β-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-(3ξ)-2-acetamido-2-deoxy-α-D-ribo-hexopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-α-D-glucopyranose

  • Molecular FormulaC32H55NO25
  • Average mass853.771 Da
  • Monoisotopic mass853.306335 Da
  • ChemSpider ID35519196

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

6-Deoxy-β-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-(3ξ)-2-acetamido-2-deoxy-α-D-ribo-hexopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-α-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-β-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-(3ξ)-2-acetamido-2-desoxy-α-D-ribo-hexopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-α-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-β-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-(3ξ)-2-acétamido-2-désoxy-α-D-ribo-hexopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, O-6-deoxy-β-L-galactopyranosyl-(1->3)-O-[β-D-galactopyranosyl-(1->4)]-O(3ξ)-2-(acetylamino)-2-deoxy-α-D-ribo-hexopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
25541-09-7 [RN]
Lacto-N-fucopentaose III

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1191.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 199.2±6.0 kJ/mol
Flash Point: 674.1±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 181.9±0.4 cm3
#H bond acceptors: 26
#H bond donors: 16
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.39
ACD/LogD (pH 5.5): -4.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 416 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 111.4±5.0 dyne/cm
Molar Volume: 488.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement