ChemSpider 2D Image | (1E,2R)-2-[(E)-{1-Hydroxy-2-[(Z)-(1-hydroxyethylidene)amino]ethylidene}amino]-N-{(1Z,2S)-1-hydroxy-1-[(2-methoxy-2-oxoethyl)imino]-2-propanyl}propanimidic acid | C13H22N4O6

(1E,2R)-2-[(E)-{1-Hydroxy-2-[(Z)-(1-hydroxyethylidene)amino]ethylidene}amino]-N-{(1Z,2S)-1-hydroxy-1-[(2-methoxy-2-oxoethyl)imino]-2-propanyl}propanimidic acid

  • Molecular FormulaC13H22N4O6
  • Average mass330.337 Da
  • Monoisotopic mass330.153931 Da
  • ChemSpider ID29272557
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1E,2R)-2-[(E)-{1-Hydroxy-2-[(Z)-(1-hydroxyethyliden)amino]ethyliden}amino]-N-{(1Z,2S)-1-hydroxy-1-[(2-methoxy-2-oxoethyl)imino]-2-propanyl}propanimidsäure [German] [ACD/IUPAC Name]
(1E,2R)-2-[(E)-{1-Hydroxy-2-[(Z)-(1-hydroxyethylidene)amino]ethylidene}amino]-N-{(1Z,2S)-1-hydroxy-1-[(2-methoxy-2-oxoethyl)imino]-2-propanyl}propanimidic acid [ACD/IUPAC Name]
Acide (1E,2R)-2-[(E)-{1-hydroxy-2-[(Z)-(1-hydroxyéthylidène)amino]éthylidène}amino]-N-{(1Z,2S)-1-hydroxy-1-[(2-méthoxy-2-oxoéthyl)imino]-2-propanyl}propanimidique [French] [ACD/IUPAC Name]
Glycine, N-[(2S)-1-hydroxy-2-[[(1E,2R)-1-hydroxy-2-[[(1E)-1-hydroxy-2-[[(1Z)-1-hydroxyethylidene]amino]ethylidene]amino]propylidene]amino]propylidene]-, methyl ester, (Z)- [ACD/Index Name]
N-ACETYLGLYCYLALANYLALANYLGLYCINE METHYL ESTER
N-ACETYL-GLYCYL-ALANYL-ALANYL-GLYCINE METHYL ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 278.4±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 79.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.87
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 250.2±7.0 cm3

Click to predict properties on the Chemicalize site






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