CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 174.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 405.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 404.1117066 g/mol |
| Monoisotopic Mass | 404.1117066 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 478 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Spectinomycin dihydrochloride is a hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea. It has a role as an antibacterial drug and an antimicrobial agent. It contains a spectinomycin(2+).