CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | Noncrystal |
---|---|
Optical Rotation | Specific optical rotation: - 5 to -10 deg at 24 degC/584 °C; -260 deg at 24 °C/300 °C (c = 0.23 in methanol) |
Corrosivity | 538.60 |
Dissociation Constants | pKa = 7.45 |
COMPUTED DESCRIPTORS
Molecular Weight | 538.7 g/mol |
---|---|
XLogP3 | 1.6 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 4 |
Exact Mass | 538.30428706 g/mol |
Monoisotopic Mass | 538.30428706 g/mol |
Topological Polar Surface Area | 104 Ų |
Heavy Atom Count | 39 |
Formal Charge | 0 |
Complexity | 1140 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 8 |
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
Batrachotoxin is a natural product found in Phyllobates aurotaenia with data available.