- 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
- 560.68
- CAS
- 70-51-9
- Other Names
-
- Butanediamide, N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-
- Ba-33112
- Deferoxamide B
- Deferoxamin
- Deferoxamine B
- Deferoxaminum
- Deferrioxamine
- Deferrioxamine B
- Desferan
- Desferex
- Desferin
- Desferral
- Desferrin
- Desferrioxamine
- Desferrioxamine B
- Df B
- DFOA
- DFOM
- Ferrioxamine B, N-benzoyl-
- N-Benzoylferrioxamine B
- Propionohydroxamic acid, N-(5-(3-((5-aminopentyl)hydroxycarbamoyl)propionamido)pentyl)-3-((5-(N-hydroxyacetamido)pentyl)carbamoyl)-
- 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
- NSC-527604
- N-[5-(3-[(5-Aminopentyl)hydroxycarbamoyl]propionamido)pentyl]-3-([5-(N-hydroxyacetamido)pentyl]carbamoyl)propionohydroxamic acid
- Desferioxamine B
- N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]-hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxybutanediamide (deferoxamine)
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -317.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1235.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 105.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 184.65 | kJ/mol | Joback Calculated Property |
| log10WS | -1.65 | Crippen Calculated Property | |
| logPoct/wat | 0.922 | Crippen Calculated Property | |
| McVol | 448.450 | ml/mol | McGowan Calculated Property |
| Pc | 1149.10 | kPa | Joback Calculated Property |
| Tboil | 1527.48 | K | Joback Calculated Property |
| Tc | 2440.70 | K | Joback Calculated Property |
| Tfus | 1089.61 | K | Joback Calculated Property |
| Vc | 1.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1724.99; 2381.86] | J/mol×K | [1527.48; 2440.70] | 
|
| Cp,gas | 1724.99 | J/mol×K | 1527.48 | Joback Calculated Property |
| Cp,gas | 1773.10 | J/mol×K | 1679.68 | Joback Calculated Property |
| Cp,gas | 1834.05 | J/mol×K | 1831.89 | Joback Calculated Property |
| Cp,gas | 1916.63 | J/mol×K | 1984.09 | Joback Calculated Property |
| Cp,gas | 2029.61 | J/mol×K | 2136.29 | Joback Calculated Property |
| Cp,gas | 2181.76 | J/mol×K | 2288.50 | Joback Calculated Property |
| Cp,gas | 2381.86 | J/mol×K | 2440.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Deferoxamine.
Sources
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