Base information

Cat. No.
CAS No.100929-71-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C27H43N8O17P3
Molecular Weight 844.595
Exact Mass 844.196
XLogP3 0.6281
Mr 187.705
PSA 419.6
Sequence -
Atom number 98
Bond number 102
Ring number 6
Rotor number 13
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)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O.NC1CCCCC1

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