| CAS Number | 349477-49-2 |
| Catalog Number | AG00CI1L(AGN-PC-0RABE0) |
| Chemical Name | CYMAL-7 SOL GRADE |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C25H46O11/c26-13-16-18(28)19(29)21(31)25(34-16)36-23-17(14-27)35-24(22(32)20(23)30)33-12-8-3-1-2-5-9-15-10-6-4-7-11-15/h15-32H,1-14H2/t16-,17-,18-,19+,20-,21-,22-,23-,24-,25-/m1/s1 |
| InChI Key | BEKAVONQUWHNMM-IYBATYGCSA-N |
| MDL Number | MFCD09750884 |
| Molecular Formula | C25H46O11 |
| Molecular Weight | 522.6261 |
| SMILES | C1(CCCCC1)CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O |
| Synonyms | 349477-49-2,
7-Cyclohexylheptyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside,
7-Cyclohexylheptyl 4-O-Alpha-D-Glucopyranosyl-Beta-D-Glucopyranoside,
CYMAL-7 SOL GRADE,
CTK8F0947,
7-Cyclohexylheptyl b-D-maltoside,
7-Cyclohexylheptyl-b-D-maltoside,
DTXSID00469552,
ZINC98208730,
RT-010799,
W-202430,
CA7,
CYMAL-7SOLGRADE,
CID11620616,
CID 11620616,
|
| Complexity | 605 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 522.304g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 522.632g/mol |
| Monoisotopic Mass | 522.304g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 179A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number