Base information

Cat. No.
CAS No.187269-60-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C46H52Na2O16
Molecular Weight 906.875
Exact Mass 906.305
XLogP3 -0.6916
Mr 218.297
PSA 279.02
Sequence -
Atom number 116
Bond number 119
Ring number 6
Rotor number 19
Residues number 0
Canonical smiles OC[C@H]1O[C@H](Oc2ccc(cc2c2cccc(c2)CC(=O)[O-])CCCCCCc2ccc(c(c2)c2cccc(c2)CC(=O)[O-])O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O.[Na+].[Na+]

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