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34787-28-5 | Desferrichrome
CAS No: 34787-28-5 Catalog No: AG003P9Q MDL No:
Product Description
Catalog Number:
AG003P9Q
Chemical Name:
Desferrichrome
CAS Number:
34787-28-5
Molecular Formula:
C27H45N9O12
Molecular Weight:
687.6993
IUPAC Name:
N-[3-[(2S,5S,8S)-5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
InChI:
InChI=1S/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39/h19-21,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44)/t19-,20-,21-/m0/s1
InChI Key:
ZFDAUYPBCXMSBF-ACRUOGEOSA-N
SMILES:
O=C1NCC(=O)NCC(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC1)CCCN(C(=O)C)O)CCCN(C(=O)C)O
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
687.319g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
687.708g/mol
Monoisotopic Mass:
687.319g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
296A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7
Literature
| Title | Journal |
|---|---|
| Synthesis and properties of different metal complexes of the siderophore desferriferricrocin. | Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine 20050201 |
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