ChemSpider 2D Image | (5xi,6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-alpha-D-glycero-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-d eoxy-D-glucopyranose | C31H52N2O23

(5ξ,6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-α-D-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-d eoxy-D-glucopyranose

  • Molecular FormulaC31H52N2O23
  • Average mass820.744 Da
  • Monoisotopic mass820.296082 Da
  • ChemSpider ID107441277

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(5ξ,6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-α-D-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-d eoxy-D-glucopyranose [ACD/IUPAC Name]
(5ξ,6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-α-D-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-[6-desoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2 -desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
(5ξ,6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]-α-D-glycéro-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-[6-désoxy-α-L-galactopyranosyl-(1->3)]-2-acétamido-2 -désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O(5ξ)-5-(acetylamino)-3,5-dideoxy-β-L-ido-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
98603-84-0 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1279.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 215.8±6.0 kJ/mol
Flash Point: 727.7±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 176.8±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -6.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 403 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 104.9±5.0 dyne/cm
Molar Volume: 482.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement