| CAS Number | 81691-06-7 |
| Catalog Number | AG008LST(AGN-PC-0UKIY5) |
| Chemical Name | 3-Methylpsedouridine |
| IUPAC Name | 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione |
| InChI | InChI=1S/C10H14N2O6/c1-12-9(16)4(2-11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,17)/t5-,6-,7-,8+/m1/s1 |
| InChI Key | DXEJZRDJXRVUPN-XUTVFYLZSA-N |
| Molecular Formula | C10H14N2O6 |
| Molecular Weight | 258.2280 |
| SMILES | Cn1c(=O)[nH]cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O |
| Synonyms | 3-methylpseudouridine,
3-Methylpseudouridine,
81691-06-7,
SCHEMBL1964384,
CTK5E9006,
NSC 363818,
3-Methyl-5-(beta-D-ribofuranosyl)uracil,
3-METHYLPSEUDOURIDINE; NSC 363818,
2,4(1H,3H)-Pyrimidinedione, 3-methyl-5-beta-D-ribofuranosyl-,
CID11207624,
2,4(1H,3H)-Pyrimidinedione,3-methyl-5-b-D-ribofuranosyl-,
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| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.23g/mol |
| Monoisotopic Mass | 258.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number