| CAS Number | 34272-02-1 |
| Catalog Number | AG00C8BW(AGN-PC-0R9N43) |
| Chemical Name | 2-Propynyl-2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside |
| IUPAC Name | [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-prop-2-ynoxyoxan-2-yl]methyl acetate |
| InChI | InChI=1S/C17H22O10/c1-6-7-22-17-16(26-12(5)21)15(25-11(4)20)14(24-10(3)19)13(27-17)8-23-9(2)18/h1,13-17H,7-8H2,2-5H3/t13-,14-,15+,16-,17-/m1/s1 |
| InChI Key | HKGFUJKLPCRVFW-NQNKBUKLSA-N |
| MDL Number | MFCD03094034 |
| Molecular Formula | C17H22O10 |
| Molecular Weight | 386.3506 |
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC#C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonyms | 34272-02-1,
2-Propynyl-2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside,
SCHEMBL5050806,
DTXSID50455607,
ZINC12955478,
AKOS015896875,
1-O-Propargyl-beta-D-glucopyranose tetraacetate,
2-Propynyl-tetra-O-acetyl-|A-D-glucopyranoside,
2-Propynyl-tetra-O-acetyl-beta-D-glucopyranoside,
I06-2695,
W-202401,
2-Propynyl-tetra-O-acetyl-beta-D-glucopyranoside, 97%,
CID11111821,
2-PROPYNYL-TETRA-O-ACETYL-beta-D-,
[3,5-diacetyloxy-2-(acetyloxymethyl)-6-prop-2-ynoxy-oxan-4-yl] Acetate,
|
| Complexity | 618 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.353g/mol |
| Monoisotopic Mass | 386.121g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number