ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(2S)-1,2,3-trihydroxypropyl]-beta-L-erythro-hex-2-ulopyranonosyl-(2->3)-alpha-L-allopyranosyl-(1->4)-[6-deoxy-alpha-L-gulopyranosyl-(1->3)]-2-acetamido-2-deoxy-L-gulopy ranose | C31H52N2O23

(6R)-5-Acetamido-3,5-dideoxy-6-[(2S)-1,2,3-trihydroxypropyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->3)-α-L-allopyranosyl-(1->4)-[6-deoxy-α-L-gulopyranosyl-(1->3)]-2-acetamido-2-deoxy-L-gulopy ranose

  • Molecular FormulaC31H52N2O23
  • Average mass820.744 Da
  • Monoisotopic mass820.296082 Da
  • ChemSpider ID34230319

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(6R)-5-Acetamido-3,5-dideoxy-6-[(2S)-1,2,3-trihydroxypropyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->3)-α-L-allopyranosyl-(1->4)-[6-deoxy-α-L-gulopyranosyl-(1->3)]-2-acetamido-2-deoxy-L-gulopy ranose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(2S)-1,2,3-trihydroxypropyl]-β-L-erythro-hex-2-ulopyranonosyl-(2->3)-α-L-allopyranosyl-(1->4)-[6-desoxy-α-L-gulopyranosyl-(1->3)]-2-acetamido-2-desoxy-L-gul opyranose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(2S)-1,2,3-trihydroxypropyl]-β-L-érythro-hex-2-ulopyranonosyl-(2->3)-α-L-allopyranosyl-(1->4)-[6-désoxy-α-L-gulopyranosyl-(1->3)]-2-acétamido-2-désoxy-L-gul opyranose [French] [ACD/IUPAC Name]
L-Gulopyranose, O-5-(acetylamino)-3,5-dideoxy-β-L-allo-2-nonulopyranonosyl-(2->3)-O-α-L-allopyranosyl-(1->4)-O-[6-deoxy-α-L-gulopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index 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: 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


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