| CAS Number | 70859-33-5 |
| Catalog Number | AG003USU(AGN-PC-0TYJX3) |
| Chemical Name | threo-5,6-Dodecanediol |
| IUPAC Name | (5R,6R)-dodecane-5,6-diol |
| InChI | InChI=1S/C12H26O2/c1-3-5-7-8-10-12(14)11(13)9-6-4-2/h11-14H,3-10H2,1-2H3/t11-,12-/m1/s1 |
| InChI Key | COLYTQSCHUMMSR-VXGBXAGGSA-N |
| MDL Number | MFCD02093463 |
| Molecular Formula | C12H26O2 |
| Molecular Weight | 202.3336 |
| SMILES | CCCCCC[C@H](O)[C@@H](O)CCCC |
| Synonyms | threo-5,6-Dodecanediol,
70859-33-5,
threo-5,6-Dihydroxydodecane,
(5R,6R)-dodecane-5,6-diol,
DTXSID00659895,
D2678,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.338g/mol |
| Monoisotopic Mass | 202.193g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number