| CAS Number | 136834-21-4 |
| Catalog Number | AG0012FD(AGN-PC-0PL3IQ) |
| Chemical Name | 5'-O-Dmt-n6-benzoyl-2'-fluoro-2'-deoxyadenosine |
| IUPAC Name | N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide |
| InChI | InChI=1S/C38H34FN5O6/c1-47-28-17-13-26(14-18-28)38(25-11-7-4-8-12-25,27-15-19-29(48-2)20-16-27)49-21-30-33(45)31(39)37(50-30)44-23-42-32-34(40-22-41-35(32)44)43-36(46)24-9-5-3-6-10-24/h3-20,22-23,30-31,33,37,45H,21H2,1-2H3,(H,40,41,43,46)/t30-,31-,33-,37-/m1/s1 |
| InChI Key | DDOOVEXTSRBCMU-VYUOYPLNSA-N |
| MDL Number | MFCD15145191 |
| Molecular Formula | C38H34FN5O6 |
| Molecular Weight | 675.7049 |
| SMILES | O=C(NC1=C2N=CN([C@@H]3O[C@H](COC(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6)[C@@H](O)[C@H]3F)C2=NC=N1)C7=CC=CC=C7 |
| Synonyms | DMT-2'-F-Bz-dA,
136834-21-4,
5'-O-DMT-N6-BENZOYL-2'-FLUORO-2'-DEOXYADENOSINE,
AK-64782,
SCHEMBL8359092,
HG1046,
MFCD15145191,
ZINC150380856,
DS-15629,
J-700129,
N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-fluoro-2'-deoxyadenosine,
Adenosine, N-benzoyl-5'-O-[bis(4-Methoxyphenyl)phenylMethyl]-2'-deoxy-2'-fluoro-,
DDOOVEXTSRBCMU-VYUOYPLNSA-N,
CID11125261,
CID 11125261,
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| Complexity | 1060 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 675.249g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 50 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 675.717g/mol |
| Monoisotopic Mass | 675.249g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number