Base information

Cat. No.
CAS No.62828-63-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C21H29N10O17P3
Molecular Weight 786.433
Exact Mass 786.092
XLogP3 -2.24
Mr 161.815
PSA 430.66
Sequence -
Atom number 80
Bond number 85
Ring number 6
Rotor number 12
Residues number 0
Canonical smiles Nc1[nH]c(=O)c2c(n1)[n+](cn2C)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)[O-]

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