| CAS Number | 114748-57-1 |
| Catalog Number | AG000F5P(AGN-PC-0NYJTC) |
| Chemical Name | Cytidine, 2',3'-dideoxy-5-iodo- |
| IUPAC Name | 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one |
| InChI | InChI=1S/C9H12IN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1 |
| InChI Key | AMWJPSDPTPKJGN-CAHLUQPWSA-N |
| MDL Number | MFCD23160768 |
| Molecular Formula | C9H12IN3O3 |
| Molecular Weight | 337.1143 |
| SMILES | O=C1N=C(N)C(I)=CN1[C@@H]2O[C@H](CO)CC2 |
| Synonyms | 114748-57-1,
5-Iodo-2',3'-dideoxycytidine,
CHEMBL388683,
SCHEMBL3437075,
CTK4A8883,
5-iodo-2', 3'-dideoxycytidine,
AMWJPSDPTPKJGN-CAHLUQPWSA-N,
ZINC1617051,
3'-I-ddC,
Cytidine, 2',3'-dideoxy-5-iodo-,
3'-Iodo-2',3'-dideoxycytidine,
Cytidine,2',3'-dideoxy-5-iodo-,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.117g/mol |
| Monoisotopic Mass | 336.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number