ChemSpider 2D Image | N-{(1Z)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-1,3-dihydroxy-1-propen-2-yl}-N~2~-[1-hydroxy-3-(1H-imidazol-5-yl)-2-iminopropyl]-alpha-asparagine | C15H22N6O8

N-{(1Z)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-1,3-dihydroxy-1-propen-2-yl}-N2-[1-hydroxy-3-(1H-imidazol-5-yl)-2-iminopropyl]-α-asparagine

  • Molecular FormulaC15H22N6O8
  • Average mass414.371 Da
  • Monoisotopic mass414.149902 Da
  • ChemSpider ID95709447

  • Double-bond stereo - Double-bond stereo

More details:

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

N-{(1Z)-1-[(E)-(2,2-Dihydroxyethyliden)amino]-1,3-dihydroxy-1-propen-2-yl}-N2-[1-hydroxy-3-(1H-imidazol-5-yl)-2-iminopropyl]-α-asparagin [German] [ACD/IUPAC Name]
N-{(1Z)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-1,3-dihydroxy-1-propen-2-yl}-N2-[1-hydroxy-3-(1H-imidazol-5-yl)-2-iminopropyl]-α-asparagine [ACD/IUPAC Name]
N-{(1Z)-1-[(E)-(2,2-Dihydroxyéthylidène)amino]-1,3-dihydroxy-1-propén-2-yl}-N2-[1-hydroxy-3-(1H-imidazol-5-yl)-2-iminopropyl]-α-asparagine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 973.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.6±3.0 kJ/mol
Flash Point: 542.8±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 80.1±7.0 dyne/cm
Molar Volume: 244.0±7.0 cm3

Click to predict properties on the Chemicalize site


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