| CAS Number | 854262-01-4 |
| Catalog Number | AG00IDNW(AGN-PC-0V0KIG) |
| Chemical Name | a-D-Mannopyranoside, 2-propynyl |
| IUPAC Name | (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-prop-2-ynoxyoxane-3,4,5-triol |
| InChI | InChI=1S/C9H14O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h1,5-13H,3-4H2/t5-,6-,7+,8+,9+/m1/s1 |
| InChI Key | DSKUDOWHGLWCBQ-DFTQBPQZSA-N |
| MDL Number | MFCD19980990 |
| Molecular Formula | C9H14O6 |
| Molecular Weight | 218.2039 |
| SMILES | O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCC#C)[C@H]1O |
| Synonyms | 854262-01-4,
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(prop-2-yn-1-yloxy)tetrahydro-2H-pyran-3,4,5-triol,
Propargylalpha-D-mannopyranoside,
BICL4262,
SCHEMBL15229456,
Propargyl alpha-D-mannopyranoside,
Propargyl-alpha-D-mannopyranoside,
2-Propynyl alpha-d-mannopyranoside,
MFCD19980990,
AKOS032946220,
ZINC138315226,
Propargyl alpha-D-mannopyranoside, Min. 98%,
alpha-d-mannopyranoside, 2-propyn-1-yl,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.205g/mol |
| Monoisotopic Mass | 218.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number