CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 223-226 °C |
|---|---|
| Solubility | VERY SOL IN HOT WATER; SLIGHTLY SOL IN ALCOHOL; INSOL IN ETHER, CHLOROFORM; SOL IN HOT ALCOHOL |
| Optical Rotation | SPECIFIC OPTICAL ROTATION (WATER, C= 1): -42 DEG @ 20 °C/D; SADTLER REF NUMBER: 16450 (IR, PRISM); 5152 (UV) |
COMPUTED DESCRIPTORS
| Molecular Weight | 457.4 g/mol |
|---|---|
| XLogP3 | -2.7 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 457.15841068 g/mol |
| Monoisotopic Mass | 457.15841068 g/mol |
| Topological Polar Surface Area | 202 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 638 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Amygdalin is a disaccharide derivative, a cyanogenic glycoside and a gentiobioside. It has a role as a plant metabolite. It is functionally related to a prunasin.