| CAS Number | 3006-41-5 |
| Catalog Number | AG00BFGU(AGN-PC-0R5EJM) |
| Chemical Name | (4AR,7R,8R,8aR)-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol |
| IUPAC Name | (2R,3R)-2,3-dihydroxy-3-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propanal |
| InChI | InChI=1S/C13H16O6/c14-6-9(15)11(17)12-10(16)7-18-13(19-12)8-4-2-1-3-5-8/h1-6,9-13,15-17H,7H2/t9-,10+,11+,12-,13?/m0/s1 |
| InChI Key | XTVRQMKOKFFGDZ-VNXCBOPGSA-N |
| MDL Number | MFCD01310486 |
| Molecular Formula | C13H16O6 |
| Molecular Weight | 268.2625 |
| SMILES | C1(=CC=CC=C1)C1OC[C@@H]2[C@H](O1)[C@@H]([C@H](C(O2)O)O)O |
| Synonyms | 3006-41-5,
SCHEMBL551879,
4.6-O-benzvlidene-D-galactose,
XTVRQMKOKFFGDZ-VNXCBOPGSA-N,
MFCD01310486,
AKOS015919072,
W0195,
W-202245,
4,6-O-Benzylidene-D-galactose,
4,6-O-Benzylidene d-glucose,
C13H16O6,
CID11346195,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.094688g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.26g/mol |
| Monoisotopic Mass | 268.094688g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number