CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Amorphous |
|---|---|
| Solubility | Slightly soluble in water |
| Optical Rotation | Specific optical rotation: -80 deg at 20 °C/D |
| Decomposition | When heated to decomposition it emits acrid smoke & irritating fumes. |
| pH | Base |
| Collision Cross Section | 317 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | MW: 843.05. Crystals. MP: 134-137 °C. Specific optical rotation: -96 deg at 20 °C/D /Spiramycin I/ |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H303:Acute toxicity,oral |
| Precautionary Statement Codes |
P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P403:Store in a well-ventilated place. |
COMPUTED DESCRIPTORS
| Molecular Weight | 843.1 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 11 |
| Exact Mass | 842.51400504 g/mol |
| Monoisotopic Mass | 842.51400504 g/mol |
| Topological Polar Surface Area | 195 Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1370 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 12 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde is a natural product found in Streptomyces ambofaciens and Streptomyces albofaciens with data available.