Chemical Properties of DEFEROXAMINE

InChI

InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)

InChI Key

UBQYURCVBFRUQT-UHFFFAOYSA-N

Formula

C25H48N6O8

SMILES

CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN

Molecular Weight¹

560.69

Other Names

• 3,9,14,20,25-Pentaazatriacontane-2,10,13,21,24-pentone, 30-amino-3,14,25-trihydroxy-
• 30-Amino-3,14,25-trihydroxy-3,9,14,20,25-pentaazatriacontane-2,10,13,21,24-pentaone
• Ba-33112
• Butanediamide, N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-
• DFOA
• DFOM
• Deferoxamide B
• Deferoxamin
• Deferoxamine B
• Deferoxaminum
• Deferrioxamine
• Deferrioxamine B
• Desferan
• Desferex
• Desferin
• Desferioxamine B
• Desferral
• Desferrin
• Desferrioxamine
• Desferrioxamine B
• Df B
• Ferrioxamine B, N-benzoyl-
• N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]-hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxybutanediamide (deferoxamine)
• N-Benzoylferrioxamine B
• N-[5-(3-[(5-Aminopentyl)hydroxycarbamoyl]propionamido)pentyl]-3-([5-(N-hydroxyacetamido)pentyl]carbamoyl)propionohydroxamic acid
• NSC-527604
• Propionohydroxamic acid, N-(5-(3-((5-aminopentyl)hydroxycarbamoyl)propionamido)pentyl)-3-((5-(N-hydroxyacetamido)pentyl)carbamoyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[677.22; 1534.05]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.82900e+00
Coefficient B			2.92682e+00
Coefficient C			-1.81230e-03
Coefficient D			4.14700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	677.22	J/mol×K	273.00	Calculated Property
Cp,gas	831.81	J/mol×K	353.78	Calculated Property
Cp,gas	968.49	J/mol×K	434.56	Calculated Property
Cp,gas	1088.58	J/mol×K	515.33	Calculated Property
Cp,gas	1193.39	J/mol×K	596.11	Calculated Property
Cp,gas	1284.22	J/mol×K	676.89	Calculated Property
Cp,gas	1362.39	J/mol×K	757.67	Calculated Property
Cp,gas	1429.21	J/mol×K	838.44	Calculated Property
Cp,gas	1485.99	J/mol×K	919.22	Calculated Property
Cp,gas	1534.05	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to DEFEROXAMINE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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