Cas no 120496-69-7 (Adenosine, 2'-deoxy-,5'-ester with thiodiphosphoric acid ([(HO)2P(O)]2S) (9CI))

Adenosine, 2'-deoxy-,5'-ester with thiodiphosphoric acid ([(HO)2P(O)]2S) (9CI) structure
120496-69-7 structure
Product Name:Adenosine, 2'-deoxy-,5'-ester with thiodiphosphoric acid ([(HO)2P(O)]2S) (9CI)
CAS No:120496-69-7
MF:C10H12N5Na3O8P2S
MW:493.212814331055
CID:138949
Update Time:2025-04-19

Adenosine, 2'-deoxy-,5'-ester with thiodiphosphoric acid ([(HO)2P(O)]2S) (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine, 2'-deoxy-,5'-ester with thiodiphosphoric acid ([(HO)2P(O)]2S) (9CI)
    • 2'- DEOXYADENOSINE- 5'- O- (1- THIODIPHOSPHATE), RP- ISOMER ( RP-DADP-Α-S )
    • 2'-DEOXYADENOSINE-5'-O-(1-THIODIPHOSPHATE), RP-ISOMER SODIUM SALT
    • 2'-DEOXYADENOSINE-5'-O-(1-THIODIPHOSPHATE), SP-ISOMER SODIUM SALT
    • RP-DADP-α-S SODIUM SALT
    • SP-DADP-α-S SODIUM SALT
    • SP-DADP-ALPHA-S SODIUM SALT
    • RP-DADP-ALPHA-S SODIUM SALT
    • 2’-deoxyadenosine-5’-o-(1-thiodiphosphate),spisomer(sp-dadp-@-s),sodiumsalt
    • 2’-deoxyadenosine-5’-o-(1-thiodiphosphate),rpisomer(rp-dadp-@-s),sodiumsalt
    • Inchi: 1S/C10H15N5O8P2S.3Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(22-7)2-21-25(20,26)23-24(17,18)19;;;/h3-7,16H,1-2H2,(H,20,26)(H2,11,12,13)(H2,17,18,19);;;/q;3*+1/p-3/t5-,6+,7+,25?;;;/m0.../s1
    • InChI Key: VWHPYZIIQISSLC-VNPFSCRLSA-K
    • SMILES: N1(C=NC2C(=NC=NC1=2)N)[C@H]1C[C@H](O)[C@@H](COP([O-])(=S)OP(=O)([O-])[O-])O1.[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 492.95700

Experimental Properties

  • PSA: 255.50000
  • LogP: 1.94600
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