ChemSpider 2D Image | 2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-{[(isopropylcarbamoyl)amino]methyl}tetrahydro-2-furanyl]-N-(2-propyn-1-yl)acetamide | C14H23N3O5

2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-{[(isopropylcarbamoyl)amino]methyl}tetrahydro-2-furanyl]-N-(2-propyn-1-yl)acetamide

  • Molecular FormulaC14H23N3O5
  • Average mass313.349 Da
  • Monoisotopic mass313.163757 Da
  • ChemSpider ID21387400

  • 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-{[(isopropylcarbamoyl)amino]methyl}tetrahydro-2-furanyl]-N-(2-propin-1-yl)acetamid [German] [ACD/IUPAC Name]
2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-{[(isopropylcarbamoyl)amino]methyl}tetrahydro-2-furanyl]-N-(2-propyn-1-yl)acetamide [ACD/IUPAC Name]
2-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-{[(isopropylcarbamoyl)amino]méthyl}tétrahydro-2-furanyl]-N-(2-propyn-1-yl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 649.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 346.6±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 78.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.25
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.25
Polar Surface Area: 120 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 252.7±3.0 cm3

Click to predict properties on the Chemicalize site


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