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15106-26-0 | Adenosine, 5'-deoxy-5'-phosphono-
CAS No: 15106-26-0 Catalog No: AG001N25 MDL No:
Product Description
Catalog Number:
AG001N25
Chemical Name:
Adenosine, 5'-deoxy-5'-phosphono-
CAS Number:
15106-26-0
Molecular Formula:
C10H14N5O6P
Molecular Weight:
331.2218
IUPAC Name:
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid
InChI:
InChI=1S/C10H14N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-22(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI Key:
HJRLCFFVPFGCEY-KQYNXXCUSA-N
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)CP(=O)(O)O
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
331.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
331.225g/mol
Monoisotopic Mass:
331.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and antiviral activity of adenosine 5'-phosphonate analogues as chain terminators against hepatitis C virus. | Journal of medicinal chemistry 20050421 |
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