Base information

Cat. No.
CAS No.58-68-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C21H29N7O14P2
Molecular Weight 665.441
Exact Mass 665.125
XLogP3 -1.467
Mr 145.246
PSA 337.24
Sequence -
Atom number 73
Bond number 77
Ring number 5
Rotor number 11
Residues number 0
Canonical smiles O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O

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