ChemSpider 2D Image | [2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde | C12H21N3O4

[2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde

  • Molecular FormulaC12H21N3O4
  • Average mass271.313 Da
  • Monoisotopic mass271.153198 Da
  • ChemSpider ID16743916
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde
{(2R)-2-[(1S,2R)-1-Amino-2-hydroxypropyl]-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetaldehyd [German] [ACD/IUPAC Name]
{(2R)-2-[(1S,2R)-1-Amino-2-hydroxypropyl]-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetaldehyde [ACD/IUPAC Name]
{(2R)-2-[(1S,2R)-1-Amino-2-hydroxypropyl]-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acétaldéhyde [French] [ACD/IUPAC Name]
1H-Imidazole-1-acetaldehyde, 2-[(1S,2R)-1-amino-2-hydroxypropyl]-2,5-dihydro-2-hydroxy-4-(2-methylpropyl)-5-oxo-, (2R)- [ACD/Index Name]
1-(2-Ethanone)-2-Hydroxy-2-(1-Amino-2-Methyl-2-Ethanol)-4-(2-Dimethyl)Ethane-Imidazoline-5-One;Chromophore (Thr-Leu-Gly)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 459.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 231.4±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 67.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 201.5±7.0 cm3

Click to predict properties on the Chemicalize site






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