Base information

Cat. No.
CAS No.37517-28-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C22H43N5O13
Molecular Weight 585.603
Exact Mass 585.286
XLogP3 -5.2321
Mr 128.992
PSA 331.94
Sequence -
Atom number 83
Bond number 85
Ring number 3
Rotor number 11
Residues number 0
Canonical smiles NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O

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