ChemSpider 2D Image | N~2~-(1-Hydroxy-2-iminoethyl)-N-{(1Z)-1-hydroxy-1-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-ylidene)amino]-1-propen-2-yl}alaninamide | C13H22N4O7

N2-(1-Hydroxy-2-iminoethyl)-N-{(1Z)-1-hydroxy-1-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-ylidene)amino]-1-propen-2-yl}alaninamide

  • Molecular FormulaC13H22N4O7
  • Average mass346.336 Da
  • Monoisotopic mass346.148834 Da
  • ChemSpider ID95559773

More details:

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

N2-(1-Hydroxy-2-iminoethyl)-N-{(1Z)-1-hydroxy-1-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-yliden)amino]-1-propen-2-yl}alaninamid [German] [ACD/IUPAC Name]
N2-(1-Hydroxy-2-iminoethyl)-N-{(1Z)-1-hydroxy-1-[(Z)-(1,1,5,5-tetrahydroxy-4-penten-2-ylidene)amino]-1-propen-2-yl}alaninamide [ACD/IUPAC Name]
N2-(1-Hydroxy-2-iminoéthyl)-N-{(1Z)-1-hydroxy-1-[(Z)-(1,1,5,5-tétrahydroxy-4-pentén-2-ylidène)amino]-1-propén-2-yl}alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-[(Z)-2-[[(1Z)-1-(dihydroxymethyl)-4,4-dihydroxy-3-buten-1-ylidene]amino]-2-hydroxy-1-methylethenyl]-2-[(1-hydroxy-2-iminoethyl)amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 79.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 232.1±7.0 cm3

Click to predict properties on the Chemicalize site


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