Catalog Number |
ACM98064961-1 |
CAS |
98064-96-1 |
Structure |
|
Synonyms |
Cetyl β-D-maltoside, hexadecyl-β-D-maltoside |
IUPAC Name |
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-Hexadecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
Molecular Weight |
566.7 |
Molecular Formula |
C28H54O11 |
Canonical SMILES |
CCCCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O |
InChI |
InChI=1S/C28H54O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-36-27-25(35)23(33)26(20(18-30)38-27)39-28-24(34)22(32)21(31)19(17-29)37-28/h19-35H,2-18H2,1H3/t19-,20-,21-,22+,23-,24-,25-,26-,27-,28-/m1/s1 |
InChI Key |
GTQCHJYVKDXMRU-YMEALESQSA-N |
Purity |
98% |
Complexity |
612 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
10 |
Exact Mass |
566.36661253 |
Heavy Atom Count |
39 |
Hydrogen Bond Acceptor Count |
11 |
Hydrogen Bond Donor Count |
7 |
Isomeric SMILES |
CCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
Monoisotopic Mass |
566.36661253 |
Physical State |
Powder |
Rotatable Bond Count |
20 |
Topological Polar Surface Area |
179 Ų |
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