| CAS Number | 362-42-5 |
| Catalog Number | AG00C0QJ(AGN-PC-0RBT29) |
| Chemical Name | 2',3'-O-isopropylidene cytidine |
| IUPAC Name | 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one |
| InChI | InChI=1S/C12H17N3O5/c1-12(2)19-8-6(5-16)18-10(9(8)20-12)15-4-3-7(13)14-11(15)17/h3-4,6,8-10,16H,5H2,1-2H3,(H2,13,14,17)/t6-,8-,9-,10-/m1/s1 |
| InChI Key | UBGDNZQSYVIVHU-PEBGCTIMSA-N |
| MDL Number | MFCD08687615 |
| Molecular Formula | C12H17N3O5 |
| Molecular Weight | 283.2805 |
| SMILES | NC1=NC(N(C=C1)[C@@H]1O[C@@H]([C@H]2OC(O[C@H]21)(C)C)CO)=O |
| Synonyms | 362-42-5,
2',3'-O-ISOPROPYLIDENECYTIDINE,
SCHEMBL9467302,
2'-O,3'-O-Isopropylidenecytidine,
ZINC17173422,
2',3'-ISOPROPYLIDENE-D-CYTIDINE,
K-8113,
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| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.284g/mol |
| Monoisotopic Mass | 283.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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