| CAS Number | 19235-17-7 |
| Catalog Number | AG002FVM(AGN-PC-0O699G) |
| Chemical Name | 5-(Hydroxymethyl)cytidine |
| IUPAC Name | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one |
| InChI | InChI=1S/C10H15N3O6/c11-8-4(2-14)1-13(10(18)12-8)9-7(17)6(16)5(3-15)19-9/h1,5-7,9,14-17H,2-3H2,(H2,11,12,18)/t5-,6-,7-,9-/m1/s1 |
| InChI Key | NFEXJLMYXXIWPI-JXOAFFINSA-N |
| MDL Number | MFCD26523159 |
| Molecular Formula | C10H15N3O6 |
| Molecular Weight | 273.2426 |
| SMILES | OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C(CO)=C2)N)=O)O1)O)O |
| Synonyms | 5-hmrC,
5-hydroxymethylcytidine,
5-hydroxymethylcytidine,
19235-17-7,
5-hydroxymethyl cytidine,
5-(Hydroxymethyl)cytidine,
SCHEMBL156036,
Cytidine, 5-(hydroxymethyl)-,
BRD-K68006081-001-01-1,
4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(hydroxymethyl)pyrimidin-2(1H)-one,
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| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.245g/mol |
| Monoisotopic Mass | 273.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
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