| CAS Number | 84297-22-3 |
| Catalog Number | AG004TI2(AGN-PC-0UR8US) |
| Chemical Name | 1-Naphthyl b-D-mannopyranoside |
| IUPAC Name | (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol |
| InChI | InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2/t12-,13-,14+,15+,16-/m1/s1 |
| InChI Key | CVAOQMBKGUKOIZ-RBGFHDKUSA-N |
| MDL Number | MFCD00070286 |
| Molecular Formula | C16H18O6 |
| Molecular Weight | 306.3105 |
| SMILES | OC[C@@H]1O[C@H](Oc2cccc3c2cccc3)[C@@H]([C@@H]([C@H]1O)O)O |
| Synonyms | 84297-22-3,
1-Naphthyl b-D-mannopyranoside,
1-Naphthyl -beta-D-mannopyranoside,
ZINC12406257,
1-Naphthyl -I(2)-D-mannopyranoside,
FT-0608138,
FT-0771130,
W0105,
W-203911,
(2R,3S,4S,5S,6S)-2-(Hydroxymethyl)-6-(naphthalen-1-yloxy)tetrahydro-2H-pyran-3,4,5-triol,
1-Naphthyl-beta-D-mannose,
1-NAPHTHYL-B-D-MANNOSE,
C16H18O6,
beta-D-Mannopyranoside 1-naphthalenyl,
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| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.314g/mol |
| Monoisotopic Mass | 306.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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