| CAS Number | 28541-75-5 |
| Catalog Number | AG002VOF(AGN-PC-0R46T2) |
| Chemical Name | 4-Methoxyphenyl alpha-d-mannopyranoside |
| IUPAC Name | (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol |
| InChI | InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12+,13+/m1/s1 |
| InChI Key | SIXFVXJMCGPTRB-BNDIWNMDSA-N |
| MDL Number | MFCD08276397 |
| Molecular Formula | C13H18O7 |
| Molecular Weight | 286.2778 |
| SMILES | O[C@@H]1[C@@H](CO)O[C@H](OC2=CC=C(OC)C=C2)[C@@H](O)[C@H]1O |
| Synonyms | 28541-75-5,
4-Methoxyphenyl a-D-mannopyranoside,
4-Methoxyphenyl alpha-D-Mannopyranoside,
(2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol,
SCHEMBL8388035,
CHEMBL1173000,
CTK8B4072,
DTXSID20593363,
ANW-43801,
ZINC44069099,
alpha-D-Mannopyranoside, 4-methoxyphenyl,
FT-0700976,
M1646,
W-202194,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.28g/mol |
| Monoisotopic Mass | 286.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
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