ChemSpider 2D Image | 2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2-furanyl]-N-(4-methoxybenzyl)acetamide | C19H27N5O5

2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2-furanyl]-N-(4-methoxybenzyl)acetamide

  • Molecular FormulaC19H27N5O5
  • Average mass405.448 Da
  • Monoisotopic mass405.201233 Da
  • ChemSpider ID21386978

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2-furanyl]-N-(4-methoxybenzyl)acetamid [German] [ACD/IUPAC Name]
2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2-furanyl]-N-(4-methoxybenzyl)acetamide [ACD/IUPAC Name]
2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-({4-[(méthylamino)méthyl]-1H-1,2,3-triazol-1-yl}méthyl)tétrahydro-2-furanyl]-N-(4-méthoxybenzyl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.11
Polar Surface Area: 131 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 285.5±7.0 cm3

Click to predict properties on the Chemicalize site


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