Found 4 results

Search term: CXWPLQYKHLCSPO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1Z,2R)-2-[(E)-(1-Hydroxyethylidene)amino]-N-[(2S)-1-methoxy-1-oxo-2-propanyl]propanimidic acid | C9H16N2O4

(1Z,2R)-2-[(E)-(1-Hydroxyethylidene)amino]-N-[(2S)-1-methoxy-1-oxo-2-propanyl]propanimidic acid

  • Molecular FormulaC9H16N2O4
  • Average mass216.234 Da
  • Monoisotopic mass216.111008 Da
  • ChemSpider ID29272880

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1Z,2R)-2-[(E)-(1-Hydroxyethyliden)amino]-N-[(2S)-1-methoxy-1-oxo-2-propanyl]propanimidsäure [German] [ACD/IUPAC Name]
(1Z,2R)-2-[(E)-(1-Hydroxyethylidene)amino]-N-[(2S)-1-methoxy-1-oxo-2-propanyl]propanimidic acid [ACD/IUPAC Name]
Acide (1Z,2R)-2-[(E)-(1-hydroxyéthylidène)amino]-N-[(2S)-1-méthoxy-1-oxo-2-propanyl]propanimidique [French] [ACD/IUPAC Name]
Alanine, N-[(2R)-1-hydroxy-2-[[(1E)-1-hydroxyethylidene]amino]propylidene]-, methyl ester, (Z)- [ACD/Index Name]
N-ACETYL-ALANYL-ALANINE METHYL ESTER

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

Density: 1.2±0.1 g/cm3
Boiling Point: 344.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.1±6.0 kJ/mol
Flash Point: 162.1±30.7 °C
Index of Refraction: 1.498
Molar Refractivity: 53.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.51
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.19
Polar Surface Area: 91 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 36.7±7.0 dyne/cm
Molar Volume: 181.8±7.0 cm3

Click to predict properties on the Chemicalize site


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