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130469-38-4 | Adenosine, 2',3'-dideoxy-3'-(hydroxymethyl)-
CAS No: 130469-38-4 Catalog No: AG000UG6 MDL No:
Product Description
Catalog Number:
AG000UG6
Chemical Name:
Adenosine, 2',3'-dideoxy-3'-(hydroxymethyl)-
CAS Number:
130469-38-4
Molecular Formula:
C11H15N5O3
Molecular Weight:
265.2685
IUPAC Name:
[(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol
InChI:
InChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)8-1-6(2-17)7(3-18)19-8/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8-/m1/s1
InChI Key:
ROKFTZONUGKALY-BWZBUEFSSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1CO)n1cnc2c1ncnc2N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
265.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.273g/mol
Monoisotopic Mass:
265.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Synthesis and HIV inhibition activity of 2',3'-dideoxy-3'-C-hydroxymethyl nucleosides. | Journal of medicinal chemistry 19961220 |
| A ring-enlarged oxetanocin A analogue as an inhibitor of HIV infectivity. | Journal of medicinal chemistry 19910101 |
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