Base information

Cat. No.
CAS No.21087-78-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C15H20KNO10S2
Molecular Weight 477.548
Exact Mass 477.017
XLogP3 -0.4857
Mr 95.6894
PSA 222.85
Sequence -
Atom number 49
Bond number 49
Ring number 2
Rotor number 8
Residues number 0
Canonical smiles OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)[O-])/C[C@@H](c2ccccc2)O)[C@@H]([C@H]([C@@H]1O)O)O.[K+]

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