| CAS Number | 2140-64-9 |
| Catalog Number | AG00BGGJ(AGN-PC-0O7URJ) |
| Chemical Name | 3-Methylcytidine |
| IUPAC Name | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-3-methylpyrimidin-2-one |
| InChI | InChI=1S/C10H15N3O5/c1-12-6(11)2-3-13(10(12)17)9-8(16)7(15)5(4-14)18-9/h2-3,5,7-9,11,14-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1 |
| InChI Key | RDPUKVRQKWBSPK-ZOQUXTDFSA-N |
| MDL Number | MFCD07778656 |
| Molecular Formula | C10H15N3O5 |
| Molecular Weight | 257.2432 |
| SMILES | [C@@H]1(O)[C@H](N2C(=O)N(C)C(=N)C=C2)O[C@H](CO)C1O |
| Synonyms | 3-methylcytidine,
3-Methylcytidine,
Cytidine, 3-methyl-,
2140-64-9,
CHEBI:20129,
3-methyl-4,N(4)-didehydro-3,4-dihydrocytidine,
SCHEMBL40872,
CHEMBL1162278,
3-Methylcytidine; N3-Methylcytidine,
ZINC100072837,
HY-111645,
3,4-Dihydro-N,4-didehydro-3-methylcytidine,
CS-0089199,
Cytidine,3-methyl-,
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| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.246g/mol |
| Monoisotopic Mass | 257.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number