| CAS Number | 1416561-90-4 |
| Catalog Number | AG00A1GI(AGN-PC-0WNXGJ) |
| Chemical Name | O-Propargyl puromycin |
| IUPAC Name | (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-prop-2-ynoxyphenyl)propanamide |
| InChI | InChI=1S/C24H29N7O5/c1-4-9-35-15-7-5-14(6-8-15)10-16(25)23(34)29-18-17(11-32)36-24(20(18)33)31-13-28-19-21(30(2)3)26-12-27-22(19)31/h1,5-8,12-13,16-18,20,24,32-33H,9-11,25H2,2-3H3,(H,29,34)/t16-,17+,18+,20+,24+/m0/s1 |
| InChI Key | JXBIGWQNNSJLQK-IYRMOJGWSA-N |
| MDL Number | MFCD28386284 |
| Molecular Formula | C24H29N7O5 |
| Molecular Weight | 495.5310 |
| SMILES | O[C@H]1[C@H](n2c3c(nc2)c(N(C)C)ncn3)O[C@@H]([C@H]1NC(=O)[C@H](Cc1ccc(cc1)OCC#C)N)CO |
| Synonyms | O-propargyl-puromycin,
OP-puro,
O-Propargyl-Puromycin,
1416561-90-4,
SCHEMBL14938114,
JXBIGWQNNSJLQK-IYRMOJGWSA-N,
CS-6850,
HY-15680,
(S)-2-Amino-N-((2S,3S,4R,5R)-5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl)-3-(4-(prop-2-yn-1-yloxy)phenyl)propanamide,
|
| Complexity | 786 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 495.223017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 495.5g/mol |
| Monoisotopic Mass | 495.223017g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 161Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number