| CAS Number | 2040291-27-6 |
| Catalog Number | AG01FTSW(AGN-PC-3H60DG) |
| Chemical Name | LLY-283 |
| IUPAC Name | (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-hydroxy(phenyl)methyl]oxolane-3,4-diol |
| InChI | InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1 |
| InChI Key | WWOOWAHTEXIWBO-QFRSUPTLSA-N |
| MDL Number | MFCD00002512 |
| Molecular Formula | C17H18N4O4 |
| Molecular Weight | 342.3492 |
| SMILES | O[C@H]1[C@H](n2c3c(cc2)c(N)ncn3)O[C@@H]([C@H]1O)[C@H](O)c1ccccc1 |
| Synonyms | LLY-283,
7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine,
2040291-27-6,
GTPL9527,
SCHEMBL18205034,
HY-107777,
LLY-283, >=98% (HPLC),
CS-0030144,
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-hydroxy(phenyl)methyl]oxolane-3,4-diol,
F5J,
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| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.132805g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.35g/mol |
| Monoisotopic Mass | 342.132805g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 127Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number