68245-16-9
Product Name:
(1S,6β)-4-Amino-5α-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
Formula:
C7H7NO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 185.13 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 185.03242232 g/mol |
| Monoisotopic Mass | 185.03242232 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 334 |
| 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 |