| CAS Number | 133525-01-6 |
| Catalog Number | AG0080GE(AGN-PC-0PK0EP) |
| Chemical Name | 3'-Azido-3'-deoxythymidine β-D-glucuronide, Sodium Salt |
| IUPAC Name | sodium;(2S,3S,4S,5R,6R)-6-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylate |
| InChI | InChI=1S/C16H21N5O10.Na/c1-5-3-21(16(28)18-13(5)25)8-2-6(19-20-17)7(30-8)4-29-15-11(24)9(22)10(23)12(31-15)14(26)27;/h3,6-12,15,22-24H,2,4H2,1H3,(H,26,27)(H,18,25,28);/q;+1/p-1/t6-,7+,8+,9-,10-,11+,12-,15+;/m0./s1 |
| InChI Key | ANFPIJBVCFGZOF-UACHAAAFSA-M |
| MDL Number | MFCD02091675 |
| Molecular Formula | C16H20N5NaO10 |
| Molecular Weight | 465.3473 |
| SMILES | O=C([O-])[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@@H]2[C@@H](N=[N+]=[N-])C[C@H](N3C=C(C)C(NC3=O)=O)O2.[Na+] |
| Synonyms | 3'-Azido-3'-deoxythymidine |A-D-glucuronide, Sodium Salt,
133525-01-6,
AZT Glucuronide Sodium Salt,
Zidovudine Glucuronide Sodium Salt,
3'-Azido-3'-deoxy-5'-O-|A-D-glucopyranuronosyl-thymidine Monosodium Salt,
|
| Complexity | 824 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 465.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.351g/mol |
| Monoisotopic Mass | 465.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 192A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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