ChemSpider 2D Image | (2S)-N~1~-[(2S)-1-{[(2S)-1-Ethoxy-1-oxo-2-propanyl]imino}-1-hydroxy-4-methyl-2-pentanyl]-N~4~-hydroxy-2-isobutylbutanediimidic acid | C19H35N3O6

(2S)-N1-[(2S)-1-{[(2S)-1-Ethoxy-1-oxo-2-propanyl]imino}-1-hydroxy-4-methyl-2-pentanyl]-N4-hydroxy-2-isobutylbutanediimidic acid

  • Molecular FormulaC19H35N3O6
  • Average mass401.498 Da
  • Monoisotopic mass401.252594 Da
  • ChemSpider ID57642896

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N1-[(2S)-1-{[(2S)-1-Ethoxy-1-oxo-2-propanyl]imino}-1-hydroxy-4-methyl-2-pentanyl]-N4-hydroxy-2-isobutylbutandiimidsäure [German] [ACD/IUPAC Name]
(2S)-N1-[(2S)-1-{[(2S)-1-Ethoxy-1-oxo-2-propanyl]imino}-1-hydroxy-4-methyl-2-pentanyl]-N4-hydroxy-2-isobutylbutanediimidic acid [ACD/IUPAC Name]
Acide (2S)-N1-[(2S)-1-{[(2S)-1-éthoxy-1-oxo-2-propanyl]imino}-1-hydroxy-4-méthyl-2-pentanyl]-N4-hydroxy-2-isobutylbutanediimidique [French] [ACD/IUPAC Name]
L-Alanine, N-[(2S)-1-hydroxy-2-[[(2S)-1-hydroxy-2-[2-hydroxy-2-(hydroxyimino)ethyl]-4-methylpentylidene]amino]-4-methylpentylidene]-, ethyl ester [ACD/Index 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: 575.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 302.1±32.9 °C
Index of Refraction: 1.522
Molar Refractivity: 103.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 49.37
ACD/KOC (pH 5.5): 370.50
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 26.60
ACD/KOC (pH 7.4): 199.60
Polar Surface Area: 144 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 340.2±7.0 cm3

Click to predict properties on the Chemicalize site


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