ChemSpider 2D Image | N-[(5R,6R,7R,8S)-6,7-Dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide | C19H25N3O4S

N-[(5R,6R,7R,8S)-6,7-Dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide

  • Molecular FormulaC19H25N3O4S
  • Average mass391.484 Da
  • Monoisotopic mass391.156586 Da
  • ChemSpider ID26329439

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-[(5R,6R,7R,8S)-6,7-Dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamid [German] [ACD/IUPAC Name]
N-[(5R,6R,7R,8S)-6,7-Dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide [ACD/IUPAC Name]
N-[(5R,6R,7R,8S)-6,7-Dihydroxy-5-(hydroxyméthyl)-2-(2-phényléthyl)-5,6,7,8-tétrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide [French] [ACD/IUPAC Name]
Propanamide, 3-mercapto-N-[(5R,6R,7R,8S)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-8-yl]- [ACD/Index 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: 711.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.4±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 103.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 31.87
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 67.44
Polar Surface Area: 146 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 270.8±7.0 cm3

Click to predict properties on the Chemicalize site


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