ChemSpider 2D Image | [10-(Hydroxy-kappaO)-10-[(hydroxy-kappaO){6-[(4-hydroxy-4-{[1-(hydroxy-kappaO)-2-oxo-3-azepanyl]amino}-2-butanyl)oxy]-5-[({2-[2-(hydroxy-kappaO)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}carbonyl)amino]-6-ox
ohexyl}amino]-8-decenoato(4-)]iron | C36H51FeN5O12

[10-(Hydroxy-κO)-10-[(hydroxy-κO){6-[(4-hydroxy-4-{[1-(hydroxy-κO)-2-oxo-3-azepanyl]amino}-2-butanyl)oxy]-5-[({2-[2-(hydroxy-κO)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}carbonyl)amino]-6-ox ohexyl}amino]-8-decenoato(4-)]iron

  • Molecular FormulaC36H51FeN5O12
  • Average mass801.661 Da
  • Monoisotopic mass801.288391 Da
  • ChemSpider ID21594045
  • Charge - Charge


More details:






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

[10-(Hydroxy-κO)-10-[(hydroxy-κO){6-[(4-hydroxy-4-{[1-(hydroxy-κO)-2-oxo-3-azépanyl]amino}-2-butanyl)oxy]-5-[({2-[2-(hydroxy-κO)phényl]-4,5-dihydro-1,3-oxazol-4-yl}carbonyl)amino]-6-ox 
ohexyl}amino]-8-décénato(4-)]fer [French] [ACD/IUPAC Name]
[10-(Hydroxy-κO)-10-[(hydroxy-κO){6-[(4-hydroxy-4-{[1-(hydroxy-κO)-2-oxo-3-azepanyl]amino}-2-butanyl)oxy]-5-[({2-[2-(hydroxy-κO)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}carbonyl)amino]-6-ox 
ohexyl}amino]-8-decenoato(4-)]eisen [German] [ACD/IUPAC Name]
[10-(Hydroxy-κO)-10-[(hydroxy-κO){6-[(4-hydroxy-4-{[1-(hydroxy-κO)-2-oxo-3-azepanyl]amino}-2-butanyl)oxy]-5-[({2-[2-(hydroxy-κO)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}carbonyl)amino]-6-ox 
ohexyl}amino]-8-decenoato(4-)]iron [ACD/IUPAC Name]
Iron, [10-[[5-[[[4,5-dihydro-2-[2-(hydroxy-κO)phenyl]-4-oxazolyl]carbonyl]amino]-6-[3-[[hexahydro-1-(hydroxy-κO)-2-oxo-1H-azepin-3-yl]amino]-3-hydroxy-1-methylpropoxy]-6-oxohexyl](hydroxy-kapp aO)amino]-10-(hydroxy-κO)-8-decenoato(4-)]- [ACD/Index Name]

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 207 Å2
Polarizability:
Surface Tension:
Molar Volume:

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