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Catalog Number | ACM71933545 |
CAS Number | 71933-54-5 |
Synonyms | (2E)-4-(beta-D-Glucopyranosyloxy)-2-(hydroxymethyl)-2-butenenitrile |
Molecular Weight | 275.25 |
InChI | InChI=1S/C11H17NO7/c12-3-6(4-13)1-2-18-11-10(17)9(16)8(15)7(5-14)19-11/h1,7-11,13-17H,2,4-5H2/b6-1+/t7-,8-,9+,10-,11-/m1/s1 |
InChI Key | FWAYDNJCBHNWQD-JBWLPIRVSA-N |
Purity | 95%+ |
Complexity | 363 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 5 |
Exact Mass | 275.10050188 |
Heavy Atom Count | 19 |
Hydrogen Bond Acceptor Count | 8 |
Hydrogen Bond Donor Count | 5 |
Isomeric SMILES | C(/C=C(/CO)\C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Monoisotopic Mass | 275.10050188 |
PhysicalState | Powder |
Rotatable Bond Count | 5 |
Topological Polar Surface Area | 143 Ų |
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