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Nocardamine

CAT: 0926-FN175540-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FN175540-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26605-16-3
Smiles
C1CCNC (=O) CCC (=O) N (CCCCCNC (=O) CCC (=O) N (CCCCCNC (=O) CCC (=O) N (CC1) O) O) O
Molecular Formula
C27H48N6O9
Molecular Weight
600.71 g/mol
Controlled
No

Chemical Information

Desferrioxamine E

Desferrioxamine E is a cyclic hydroxamic acid siderophore that is produced by several bacterial species and exhibits antitumour activity. It has a role as a siderophore, an antineoplastic agent, a marine metabolite and a bacterial metabolite. It is a cyclic hydroxamic acid, a cyclic desferrioxamine and a macrocycle. It is a conjugate acid of a desferrioxamine E(3-).

CAS Number26605-16-3
PubChem CID161532
IUPAC Name1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone
Molecular FormulaC27H48N6O9
Molecular Weight600.7
XLogP-2.2
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count42
Formal Charge0
Complexity764
SMILES
C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)O
InChI
InChI=1S/C27H48N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h40-42H,1-21H2,(H,28,34)(H,29,35)(H,30,36)
InChIKey
NHKCCADZVLTPPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desferrioxamine E
CAS: 26605-16-3
CID: 161532
Formula: C27H48N6O9
MW: 600.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight600.7
XLogP3-2.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass600.34827713
Monoisotopic Mass600.34827713
Topological Polar Surface Area209 Ų
Heavy Atom Count42
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes