CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] |
|---|---|
| Color/Form | Granular amorphous powder |
| Melting Point | 121-124 °C |
| Solubility | Soluble in ether, chloroform, alcohol. Practically insoluble in water, petroleum ether |
| Optical Rotation | Specific optical rotation: +95.7 deg at 17 °C/D ( c = 4.59 in ethanol) |
| Other Experimental Properties | Mol wt: 641.75; mp 204-206 °C; specific optical rotation in a 1 decimeter cell, neat: -140 deg at 25 °C/D (CHCl3) /Taxine A/ |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 641.7 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 10 |
| Exact Mass | 641.31999670 g/mol |
| Monoisotopic Mass | 641.31999670 g/mol |
| Topological Polar Surface Area | 160 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1260 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Taxine is a natural product found in Taxus baccata and Taxus brevifolia with data available.