Cas no 154902-26-8 (Adenosine,2',3'-dideoxy-, 5'®P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(O)(OH)(SH)),sodium salt (9CI))
154902-26-8 structure
Product Name:Adenosine,2',3'-dideoxy-, 5'®P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(O)(OH)(SH)),sodium salt (9CI)
CAS No:154902-26-8
MF:C10H12N5Na4O10P3S
MW:579.175146102905
CID:138956
PubChem ID:102601686
Update Time:2025-04-19
Adenosine,2',3'-dideoxy-, 5'®P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(O)(OH)(SH)),sodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2',3'-DIDEOXYADENOSINE-5'-O-(1-THIOTRIPHOSPHATE) SODIUM SALT
- Adenosine,2',3'-dideoxy-, 5'®
- 2', 3'- DIDEOXYADENOSINE- 5'- O- (1- THIOTRIPHOSPHATE), RP-
- DDATP-α-S SODIUM SALT
- P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(O)(OH)(SH)),sodium salt (9CI)
- DDATP-ALPHA-S SODIUM SALT
- Adenosine,2',3'-dideoxy-,5'(R)p''-ester with thiotriphosphoric acid((ho)2p(o)op(o)(oh)op(o)(oh)(sh)),sodium salt(9ci)
- 154902-26-8
- Adenosine,2',3'-dideoxy-, 5'®P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(O)(OH)(SH)),sodium salt (9CI)
-
- Inchi： 1S/C10H16N5O10P3S.4Na/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(23-7)3-22-28(21,29)25-27(19,20)24-26(16,17)18;;;;/h4-7H,1-3H2,(H,19,20)(H,21,29)(H2,11,12,13)(H2,16,17,18);;;;/q;4*+1/p-4/t6-,7+,28?;;;;/m0..../s1
- InChI Key： XHGOPPWSTWXSKT-HAGVXKASSA-J
- SMILES： S=P([O-])(OP(=O)([O-])OP(=O)([O-])[O-])OC[C@@H]1CC[C@H](N2C=NC3C(N)=NC=NC2=3)O1.[Na+].[Na+].[Na+].[Na+]
Computed Properties
- Exact Mass: 578.91100
- Monoisotopic Mass: 578.91085089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 33
- Rotatable Bond Count: 7
- Complexity: 723
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 265?2
Experimental Properties
- PSA: 294.44000
- LogP: 3.53040
Adenosine,2',3'-dideoxy-, 5'®P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(O)(OH)(SH)),sodium salt (9CI) Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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