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Home > Fluorides > 113941-20-1
113941-20-1 | Adenosine, 2',3'-dideoxy-2',3'-difluoro-
CAS No: 113941-20-1 Catalog No: AG000A4O MDL No:
Product Description
Catalog Number:
AG000A4O
Chemical Name:
Adenosine, 2',3'-dideoxy-2',3'-difluoro-
CAS Number:
113941-20-1
Molecular Formula:
C10H11F2N5O2
Molecular Weight:
271.2234
IUPAC Name:
[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-difluorooxolan-2-yl]methanol
InChI:
InChI=1S/C10H11F2N5O2/c11-5-4(1-18)19-10(6(5)12)17-3-16-7-8(13)14-2-15-9(7)17/h2-6,10,18H,1H2,(H2,13,14,15)/t4-,5-,6-,10-/m1/s1
InChI Key:
MUERFVHFNIYBRA-PLDPKQSISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1F)F)n1cnc2c1ncnc2N
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
271.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.228g/mol
Monoisotopic Mass:
271.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis of 9-(2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)adenine. | Nucleosides, nucleotides & nucleic acids 20070101 |
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