ChemSpider 2D Image | N,N'-{[(1Z,2S,3Z,5S,6Z,9Z,12Z,15Z,17S)-17-{3-[Formyl(hydroxy)amino]propyl}-3,6,9,12,15,18-hexahydroxy-1,4,7,10,13,16-hexaazacyclooctadeca-3,6,9,12,15,18-hexaene-2,5-diyl]di-3,1-propanediyl}bis(N-hydro xyacetamide) | C26H43N9O12

N,N'-{[(1Z,2S,3Z,5S,6Z,9Z,12Z,15Z,17S)-17-{3-[Formyl(hydroxy)amino]propyl}-3,6,9,12,15,18-hexahydroxy-1,4,7,10,13,16-hexaazacyclooctadeca-3,6,9,12,15,18-hexaene-2,5-diyl]di-3,1-propanediyl}bis(N-hydro xyacetamide)

  • Molecular FormulaC26H43N9O12
  • Average mass673.673 Da
  • Monoisotopic mass673.303101 Da
  • ChemSpider ID58837250

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acetamide, N,N'-[[(1Z,2S,3Z,5S,6Z,9Z,12Z,15Z,17S)-17-[3-(formylhydroxyamino)propyl]-3,6,9,12,15,18-hexahydroxy-1,4,7,10,13,16-hexaazacyclooctadeca-3,6,9,12,15,18-hexaene-2,5-diyl]di-3,1-propanediyl]bi s[N-hydroxy- [ACD/Index Name]
N,N'-{[(1Z,2S,3Z,5S,6Z,9Z,12Z,15Z,17S)-17-{3-[Formyl(hydroxy)amino]propyl}-3,6,9,12,15,18-hexahydroxy-1,4,7,10,13,16-hexaazacyclooctadeca-3,6,9,12,15,18-hexaen-2,5-diyl]di-3,1-propandiyl}bis(N-hydroxy acetamid) [German] [ACD/IUPAC Name]
N,N'-{[(1Z,2S,3Z,5S,6Z,9Z,12Z,15Z,17S)-17-{3-[Formyl(hydroxy)amino]propyl}-3,6,9,12,15,18-hexahydroxy-1,4,7,10,13,16-hexaazacyclooctadeca-3,6,9,12,15,18-hexaene-2,5-diyl]di-3,1-propanediyl}bis(N-hydro xyacetamide) [ACD/IUPAC Name]
N,N'-{[(1Z,2S,3Z,5S,6Z,9Z,12Z,15Z,17S)-17-{3-[Formyl(hydroxy)amino]propyl}-3,6,9,12,15,18-hexahydroxy-1,4,7,10,13,16-hexaazacyclooctadéca-3,6,9,12,15,18-hexaène-2,5-diyl]di-3,1-propanediyl}bis(N-hydro xyacétamide) [French] [ACD/IUPAC Name]
ferrichrome minus Fe(III)
ferrichrome with no bound iron

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1078.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 178.9±6.0 kJ/mol
Flash Point: 605.9±37.1 °C
Index of Refraction: 1.633
Molar Refractivity: 159.9±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -8.52
ACD/LogD (pH 5.5): -10.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 447.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement