55903-80-5
Product Name:
Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid, 6'-ethyl-1,2,2',3',6',7',8',8'a-octahydro-4-hydroxy-α-(methoxymethylene)-2-oxo-, methyl ester, (αE,1'R,6'S,7'S,8'aS)-
Formula:
C22H28N2O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 400.5 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 400.19982200 g/mol |
| Monoisotopic Mass | 400.19982200 g/mol |
| Topological Polar Surface Area | 88.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 695 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Mitrafo;ine is a natural product found in Mitragyna rotundifolia and Mitragyna speciosa with data available.