| CAS Number | 10230-17-8 |
| Catalog Number | AG00075O(AGN-PC-0NVDN7) |
| Chemical Name | D-Glucose,3-O-(phenylmethyl)- |
| EC Number | 307-256-5 |
| IUPAC Name | (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol |
| InChI | InChI=1S/C13H18O6/c14-6-9-10(15)12(11(16)13(17)19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11-,12+,13-/m1/s1 |
| InChI Key | FYEFQDXXKFUMOJ-NJMOYASZSA-N |
| MDL Number | MFCD00051212 |
| Molecular Formula | C13H18O6 |
| Molecular Weight | 270.2784 |
| SMILES | O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)OCC1=CC=CC=C1)O |
| Synonyms | 3-O-Benzyl-beta-D-glucose,
3-O-BENZYL-D-GLUCOPYRANOSE,
97590-76-6,
10230-17-8,
D-Glucose,3-O-(phenylmethyl)-,
EINECS 307-256-5,
3-O-Benzyl-beta-D-glucopyranose,
DTXSID60243057,
5368AH,
MFCD00051212,
ZINC15657720,
AKOS015910542,
W-200666,
I14-40114,
C13H18O6,
C13-H18-O6,
CID11076491,
4-Benzyloxy-6-hydroxymethyl-tetrahydropyran-2,3,5-triol,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.281g/mol |
| Monoisotopic Mass | 270.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 99.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number