Catalog Number |
ACM9005678-1 |
CAS |
9005-67-8 |
Synonyms |
Tween 60 |
IUPAC Name |
(2R)-2-[(2R,3R,4S)-3,4-Bis(2-hydroxyethoxy)oxolan-2-yl]-2-hydroxyethyl dodecanoate |
Molecular Weight |
434.6 |
Molecular Formula |
C22H42O8 |
Canonical SMILES |
CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)OCCO)OCCO)O |
InChI |
InChI=1S/C22H42O8/c1-2-3-4-5-6-7-8-9-10-11-20(26)29-16-18(25)21-22(28-15-13-24)19(17-30-21)27-14-12-23/h18-19,21-25H,2-17H2,1H3/t18-,19+,21-,22-/m1/s1 |
InChI Key |
CRBBOOXGHMTWOC-NPDDRXJXSA-N |
Melting Point |
45-50 °C |
Purity |
98%+ |
Complexity |
420 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
4 |
Exact Mass |
434.28796829 |
Heavy Atom Count |
30 |
Hydrogen Bond Acceptor Count |
8 |
Hydrogen Bond Donor Count |
3 |
Isomeric SMILES |
CCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)OCCO)OCCO)O |
Monoisotopic Mass |
434.28796829 |
Physical State |
Solid |
Rotatable Bond Count |
20 |
Topological Polar Surface Area |
115 Ų |
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