92953-56-5
Product Name:
L-Proline, 4-[[2-(acetylamino)-2-deoxy-4-O-sulfo-β-D-glucopyranosyl]oxy]-5-(hydroxymethyl)-, (4S,5R)- (9CI)
Formula:
C14H24N2O12S
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COMPUTED DESCRIPTORS
| Molecular Weight | 444.41 g/mol |
|---|---|
| XLogP3 | -6.5 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 444.10499538 g/mol |
| Monoisotopic Mass | 444.10499538 g/mol |
| Topological Polar Surface Area | 230 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 697 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |