| CAS Number | 6730-10-5 |
| Catalog Number | AG00IBP8(AGN-PC-0TNWAN) |
| Chemical Name | 1,3,4,6-Tetra-o-acetyl-2-acetamido-2-deoxy-beta-d-mannose |
| IUPAC Name | [(2R,3S,4R,5S,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate |
| InChI | InChI=1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13+,14-,15-,16-/m1/s1 |
| InChI Key | OVPIZHVSWNOZMN-YIDVYQOGSA-N |
| MDL Number | MFCD30491713 |
| Molecular Formula | C16H23NO10 |
| Molecular Weight | 389.3545 |
| SMILES | O=C(OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](NC(C)=O)[C@H](OC(C)=O)O1)C |
| Synonyms | 6730-10-5,
SCHEMBL7152162,
(2S,3S,4R,5S,6R)-3-Acetamido-6-(acetoxymethyl)tetrahydro-2H-pyran-2,4,5-triyl triacetate,
ZINC22060003,
1,3,4,6-Tetra-o-acetyl-2-acetamido-2-deoxy-beta-d-mannose,
|
| Complexity | 604 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.132196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.35g/mol |
| Monoisotopic Mass | 389.132196g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 144Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number