20581-41-3
Product Name:
BETA-D-GLUCOPYRANOSYLPHENYL ISOTHIOCYANATE
Formula:
C13H15NO6S
Synonyms:
Isothiocyanatophenyl β-D -glucopyranoside
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COMPUTED DESCRIPTORS
| Molecular Weight | 313.33 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 313.06200837 g/mol |
| Monoisotopic Mass | 313.06200837 g/mol |
| Topological Polar Surface Area | 144 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 383 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |