Base information

Cat. No.
CAS No.102029-52-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C25H37N7Na3O18P3S
Molecular Weight 917.553
Exact Mass 917.082
XLogP3 1.3214
Mr 177.732
PSA 443.92
Sequence -
Atom number 94
Bond number 93
Ring number 3
Rotor number 24
Residues number 0
Canonical smiles O=C(NCCSC(=O)CC(=O)C)CCNC(=O)C(C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)[O-])O)n1cnc2c1ncnc2N)[O-])[O-])(C)C)O.[Na+].[Na+].[Na+]

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