Catalog Number |
ACM70005866-1 |
CAS |
70005-86-6 |
Structure |
|
Synonyms |
2-(Hydroxymethyl)-6-undecoxyoxane-3,4,5-triol |
IUPAC Name |
(2R,3S,4S,5R,6R)-2-(Hdroxymethyl)-6-undecoxyoxane-3,4,5-triol |
Molecular Weight |
334.4 |
Molecular Formula |
C17H34O6 |
Canonical SMILES |
CCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O |
InChI |
InChI=1S/C17H34O6/c1-2-3-4-5-6-7-8-9-10-11-22-17-16(21)15(20)14(19)13(12-18)23-17/h13-21H,2-12H2,1H3/t13-,14-,15+,16-,17-/m1/s1 |
InChI Key |
ULDAPNVYSDTSFM-NQNKBUKLSA-N |
Purity |
97%+ |
Complexity |
288 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
5 |
Exact Mass |
334.2355388 |
Heavy Atom Count |
23 |
Hydrogen Bond Acceptor Count |
6 |
Hydrogen Bond Donor Count |
4 |
Isomeric SMILES |
CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Monoisotopic Mass |
334.2355388 |
Rotatable Bond Count |
12 |
Topological Polar Surface Area |
99.4 Ų |
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