CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | Decomposes |
|---|---|
| Melting Point | 117 ºC |
| LogP | 5.9 |
COMPUTED DESCRIPTORS
| Molecular Weight | 577.7 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 577.32641949 g/mol |
| Monoisotopic Mass | 577.32641949 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1130 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
Dihydro-alpha-ergocryptine is alpha-Ergocryptine in which a single bond replaces the double bond between positions 9 and 10. It is functionally related to an alpha-ergocryptine. It derives from a hydride of an ergotaman.