CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless solid; Soluble in water; Technical product is light brown solid; [HSDB] |
|---|---|
| Color/Form | Colorless crystals |
| Melting Point | 235-236 °C (decomp.) |
| Solubility | In acetic acid >30 g/l (20 °C). Practically insoluble in acetone, benzene, carbon tetrachloride, chloroform, cyclohexane, dioxane, ethanol, diethyl ether, ethyl acetate, methanol, pyridine, xylene. |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: (negligible) |
| LogP | -4.7 |
| Stability/Shelf Life | Blasticidin-S is stable in solution at a pH of 5-7, unstable at a pH less than 4. |
| Optical Rotation | Specific rotation @ 11 °C for D (sodium) line: +108.4 deg in water |
| Decomposition | 235-236 °C |
| Dissociation Constants | pKa1: 2.4 (carboxylic aicd); pKa2: 4.6 (amine); pKa3: 8.0 (amine); pKa4: >12.5 (amine) |
| Other Experimental Properties | Light brown solid /Technical/ |
| Chemical Classes | Pesticides -> Fungicides |
COMPUTED DESCRIPTORS
| Molecular Weight | 422.4 g/mol |
|---|---|
| XLogP3 | -5.2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 422.20261596 g/mol |
| Monoisotopic Mass | 422.20261596 g/mol |
| Topological Polar Surface Area | 213 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 795 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Blasticidin S is a blasticidin that is an antibiotic obtained from Streptomyces griseochromogene. It has a role as a fungicide, a bacterial metabolite, an antimicrobial agent and a protein synthesis inhibitor. It is an antibiotic antifungal agent and a blasticidin. It is a conjugate base of a blasticidin S(1+).