Base information

Cat. No.
CAS No.15251-48-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C44H46CaN4O18
Molecular Weight 958.93
Exact Mass 958.243
XLogP3 -1.3416
Mr 218.875
PSA 409.36
Sequence -
Atom number 113
Bond number 118
Ring number 8
Rotor number 4
Residues number 0
Canonical smiles CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)C1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)[O-])C.CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)C1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)[O-])C.[Ca+2]

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