tert-Butyl (3S,5S)-6-Chloro-3,5-dihydroxyhexanoate - CAS 325471-28-1
Catalog: |
BB071683 |
Product Name: |
tert-Butyl (3S,5S)-6-Chloro-3,5-dihydroxyhexanoate |
CAS: |
325471-28-1 |
Synonyms: |
(3S,5S)-6-Chloro-3,5-dihydroxy-Hexanoic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl (3S,5S)-6-chloro-3,5-dihydroxyhexanoate |
Molecular Weight: | 238.71 |
Molecular Formula: | C10H19ClO4 |
Canonical SMILES: | CC(C)(C)OC(=O)CC(CC(CCl)O)O |
InChI: | InChI=1S/C10H19ClO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m0/s1 |
InChI Key: | FIKPWJZUGTVXCO-YUMQZZPRSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0971868 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0971868 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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