CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Agaritine appears as colorless glistening crystals. (NTP, 1992) |
|---|---|
| Color/Form | GLISTENING CRYSTALS FROM DILUTE ALCOHOL |
| Melting Point | 397 to 406 °F Decomposes (NTP, 1992) |
| Solubility | Very Soluble (NTP, 1992) |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: 7 DEG @ 25 °C/D (CONCN = 0.8 G IN 100 ML WATER); MAX ABSORPTION (WATER): 237.5 NM (E= 12,000), 280 NM (E= 1,400) |
| Dissociation Constants | PKA IN WATER: 3.4 & 8.86 |
| Other Experimental Properties | DECOMPOSES @ 205-209 °C |
| Chemical Classes | Biological Agents -> Mushroom Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 267.28 g/mol |
|---|---|
| XLogP3 | -2.8 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 267.12190603 g/mol |
| Monoisotopic Mass | 267.12190603 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 303 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
Agaritine appears as colorless glistening crystals. (NTP, 1992)