| CAS Number | 32785-93-6 |
| Catalog Number | AG00CI1U(AGN-PC-0O8Y5T) |
| Chemical Name | 1-Chloro-1-deoxy-D-fructose |
| IUPAC Name | (2S,3S,4S,5R)-2-(chloromethyl)-5-(hydroxymethyl)oxolane-2,3,4-triol |
| InChI | InChI=1S/C6H11ClO5/c7-2-6(11)5(10)4(9)3(1-8)12-6/h3-5,8-11H,1-2H2/t3-,4-,5+,6-/m1/s1 |
| InChI Key | WFVLTTZSPOCKHE-ARQDHWQXSA-N |
| MDL Number | MFCD08460522 |
| Molecular Formula | C6H11ClO5 |
| Molecular Weight | 198.6015 |
| SMILES | OC[C@H]1O[C@]([C@H]([C@@H]1O)O)(O)CCl |
| UNII | UM15XZ96TQ |
| Synonyms | UNII-UM15XZ96TQ,
UM15XZ96TQ,
32785-93-6,
SCHEMBL528896,
ZINC95495936,
AKOS006291228,
1-Chloro-1-deoxy-alpha-D-fructofuranose,
K-7595,
W-202345,
(2S,3S,4S,5R)-2-(Chloromethyl)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol,
1932126-86-7,
1-CHLORO-1-DEOXY-D-FRUCTOSE,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.029501g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.6g/mol |
| Monoisotopic Mass | 198.029501g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number