ChemSpider 2D Image | (2E,3aS,4S,5S,6R,6aR)-4-Hydroxy-6-(hydroxymethyl)-2-(methylimino)hexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl 2-acetamido-4-O-(2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranosyl)-2-deoxy-alpha-L-talop yranoside | C25H42N4O14

(2E,3aS,4S,5S,6R,6aR)-4-Hydroxy-6-(hydroxymethyl)-2-(methylimino)hexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl 2-acetamido-4-O-(2-acetamido-2-deoxy-6-O-methyl-β-D-glucopyranosyl)-2-deoxy-α-L-talop yranoside

  • Molecular FormulaC25H42N4O14
  • Average mass622.619 Da
  • Monoisotopic mass622.269775 Da
  • ChemSpider ID78443217

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2E,3aS,4S,5S,6R,6aR)-4-Hydroxy-6-(hydroxymethyl)-2-(methylimino)hexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl 2-acetamido-4-O-(2-acetamido-2-deoxy-6-O-methyl-β-D-glucopyranosyl)-2-deoxy-α-L-talop yranoside [ACD/IUPAC Name]
(2E,3aS,4S,5S,6R,6aR)-4-Hydroxy-6-(hydroxymethyl)-2-(methylimino)hexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl-2-acetamido-4-O-(2-acetamido-2-desoxy-6-O-methyl-β-D-glucopyranosyl)-2-desoxy-α-L-tal opyranosid [German] [ACD/IUPAC Name]
2-Acétamido-4-O-(2-acétamido-2-désoxy-6-O-méthyl-β-D-glucopyranosyl)-2-désoxy-α-L-talopyranoside de (2E,3aS,4S,5S,6R,6aR)-4-hydroxy-6-(hydroxyméthyl)-2-(méthylimino)hexahydro-2H-cyclopenta[d][1 ,3]oxazol-5-yle [French] [ACD/IUPAC Name]
α-L-Talopyranoside, (2E,3aS,4S,5S,6R,6aR)-hexahydro-4-hydroxy-6-(hydroxymethyl)-2-(methylimino)-2H-cyclopent[d]oxazol-5-yl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-6-O-methyl-β-D-glucopyran osyl]-2-deoxy- [ACD/Index Name]
Methyl-N-demethyl-allosamidin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1045.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.1±6.0 kJ/mol
Flash Point: 585.9±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.78
ACD/LogD (pH 5.5): -4.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 67.3±7.0 dyne/cm
Molar Volume: 352.6±7.0 cm3

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