| CAS Number | 52663-90-8 |
| Catalog Number | AG00DDIX(AGN-PC-0SDAYH) |
| Chemical Name | 2’,3’-Isopropylidene Ribavirin |
| IUPAC Name | 1-[(4R,6R,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide |
| InChI | InChI=1S/C11H16N4O5/c1-11(2)19-6-5(3-16)18-10(7(6)20-11)15-4-13-9(14-15)8(12)17/h4-7,10,16H,3H2,1-2H3,(H2,12,17)/t5-,6+,7?,10-/m1/s1 |
| InChI Key | GFAYNBSWGHNOGJ-VTUMKUEMSA-N |
| Molecular Formula | C11H16N4O5 |
| Molecular Weight | 284.2685 |
| SMILES | CC1(C)O[C@H]2[C@@H](CO)O[C@H](C2O1)n3cnc(n3)C(=O)N |
| Synonyms | 52663-90-8,
2',3'-Isopropylidene Ribavirin,
SCHEMBL13058163,
DTXSID40732434,
FT-0670520,
1-[2,3-O-(1-Methylethylidene)-|A-D-ribofuranosyl]-1H-1,2,4-triazole-3-carboxamide,
1-[(2xi)-2,3-O-(1-Methylethylidene)-beta-D-threo-pentofuranosyl]-1H-1,2,4-triazole-3-carboxamide,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.272g/mol |
| Monoisotopic Mass | 284.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number