Base information

Cat. No.
CAS No.84252-03-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H80N2O17S
Molecular Weight 953.185
Exact Mass 952.518
XLogP3 2.6429
Mr 242.756
PSA 305.18
Sequence -
Atom number 145
Bond number 146
Ring number 3
Rotor number 14
Residues number 0
Canonical smiles SCC(C(=O)O)NC(=O)C.CCC(=O)O[C@@H]1[C@H](O[C@H](C[C@H]1N(C)C)C)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)C(=O)O[C@H](CC)[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]1(C)O)C)C)O)(C)O

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