480-54-6
Product Name:
RETRORSINE
Formula:
C18H25NO6
Synonyms:
β-Longilobine;12,18-Dihydroxysenecionan-11,16-dione;Retrorsin;Senecionan-11,16-Dione, 12,18-Dihydroxy- (9CI)
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Colorless prisms |
|---|---|
| Melting Point | 212 °C |
| Solubility | Soluble in chloroform; slightly soluble in acetone, ethanol, water |
| Vapor Pressure | 1.9X10-14 mm Hg @ 25 °C /Estimated/ |
| LogP | log Kow = -1.88 @ 25 °C /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 1.3X10-12 atm-cu m/mol @ 25 °C /Estimated/ |
| Stability/Shelf Life | Stability: stable at room temperature in closed containers: best stored under nitrogen -15 °C. |
| Optical Rotation | Max absorption (water): 217 nm (epsilon= 201, 1%, 1 cm); specific optical rotation (chloroform): -61.4 deg @ 20 °C/D |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxide/. |
| Dissociation Constants | pKa = 6.01 /Estimated/ |
| Kovats Retention Index | 2585 |
| Other Experimental Properties | Readily hydrolyzed with alkali; reacts with oxidizing agents (slowly with atmospheric oxygen) to form dihydropyrrolizine and other derivatives. |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P262:Do not get in eyes, on skin, or on clothing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 351.4 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 351.16818752 g/mol |
| Monoisotopic Mass | 351.16818752 g/mol |
| Topological Polar Surface Area | 96.3 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 627 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Retrorsine is a macrolide.