CHEMICAL AND PHYSICAL PROPERTIES
| Stability/Shelf Life | Stable under recommended storage conditions. /FK-506 monohydrate/ |
|---|---|
| Optical Rotation | Colorless prisms from acetonitrile; mp 127-129 °C. Specific optical rotation: -84.4 deg at 23 °C/D (c = 1.02 in chloroform). Soluble in methanol, ethanol, acetone, ethyl acetate, chloroform, diethyl ether; sparingly soluble in hexane, petroleum ether. Insoluble in water. /Tacrolimus monohydrate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 804.0 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 803.48197664 g/mol |
| Monoisotopic Mass | 803.48197664 g/mol |
| Topological Polar Surface Area | 178 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1480 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 14 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Tacrolimus-13C,D2 is a natural product found in Streptomyces clavuligerus with data available.