ChemSpider 2D Image | 2-{(4Z)-4-[(2-{(Z)-[1,1-Dihydroxy-3-(1H-imidazol-5-yl)-2-propanylidene]amino}ethyl)imino]-5,5-dihydroxypentyl}guanidine | C14H25N7O4

2-{(4Z)-4-[(2-{(Z)-[1,1-Dihydroxy-3-(1H-imidazol-5-yl)-2-propanylidene]amino}ethyl)imino]-5,5-dihydroxypentyl}guanidine

  • Molecular FormulaC14H25N7O4
  • Average mass355.393 Da
  • Monoisotopic mass355.196808 Da
  • ChemSpider ID95703433

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(4Z)-4-[(2-{(Z)-[1,1-Dihydroxy-3-(1H-imidazol-5-yl)-2-propanyliden]amino}ethyl)imino]-5,5-dihydroxypentyl}guanidin [German] [ACD/IUPAC Name]
2-{(4Z)-4-[(2-{(Z)-[1,1-Dihydroxy-3-(1H-imidazol-5-yl)-2-propanylidene]amino}ethyl)imino]-5,5-dihydroxypentyl}guanidine [ACD/IUPAC Name]
2-{(4Z)-4-[(2-{(Z)-[1,1-Dihydroxy-3-(1H-imidazol-5-yl)-2-propanylidène]amino}éthyl)imino]-5,5-dihydroxypentyl}guanidine [French] [ACD/IUPAC Name]
Guanidine, N''-[(4Z)-4-[[2-[[(1Z)-2,2-dihydroxy-1-(1H-imidazol-5-ylmethyl)ethylidene]amino]ethyl]imino]-5,5-dihydroxypentyl]- [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: 677.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.7±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 87.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -4.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 67.6±7.0 dyne/cm
Molar Volume: 235.7±7.0 cm3

Click to predict properties on the Chemicalize site


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