204254-92-2
Product Name:
(3R,4R,5R)-3-(1-Ethylpropoxy)-4-hydroxy-5-[(Methylsulfonyl)oxy]-1-cyclohexene-1-carboxylic Acid Ethyl Ester
Formula:
C15H26O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 350.4 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 350.13992434 g/mol |
| Monoisotopic Mass | 350.13992434 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 516 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |