Base information

Cat. No.
CAS No.86-08-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C22H28N6O14P2
Molecular Weight 662.437
Exact Mass 662.114
XLogP3 -0.8928
Mr 141.521
PSA 314.69
Sequence -
Atom number 72
Bond number 76
Ring number 5
Rotor number 11
Residues number 0
Canonical smiles O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)[O-])O[C@H]([C@@H]1O)[n+]1cccc(c1)C(=O)C

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