| CAS Number | 4435-05-6 |
| Catalog Number | AG00DF96(AGN-PC-0RSQ1I) |
| Chemical Name | 3,4,6-Tri-O-acetyl-b-D-mannopyranose1,2-(methylorthoacetate) |
| IUPAC Name | [(3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-hydroxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate |
| InChI | InChI=1S/C14H20O10/c1-6(15)19-5-9-10(20-7(2)16)11(21-8(3)17)12-13(22-9)24-14(4,18)23-12/h9-13,18H,5H2,1-4H3/t9-,10-,11+,12+,13+,14?/m1/s1 |
| InChI Key | UZMFJHRMEQGHED-XXZHWVDOSA-N |
| MDL Number | MFCD00211213 |
| Molecular Formula | C15H22O10 |
| Molecular Weight | 362.3292 |
| SMILES | C(C)(=O)O[C@H]1[C@@H]([C@H]2[C@@H](O[C@@H]1COC(C)=O)OC(O2)(C)OC)OC(C)=O |
| Synonyms | 4435-05-6,
3,4,6-Tri-O-acetyl-b-D-mannopyranose 1,2-(methyl orthoacetate),
3,4,6-TRI-O-ACETYL-BETA-D-MANNOPYRANOSE 1,2-(METHYL ORTHOACETATE),
BICL4374,
K-0069,
435T056,
W-200589,
UZMFJHRMEQGHED-XXZHWVDOSA-N,
3,4,6-Tri-O-acetyl-b-D-mannopyranose1,2-,
|
| Complexity | 520 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.304g/mol |
| Monoisotopic Mass | 348.106g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number