51838-83-6
Product Name:
3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester
Formula:
C15H16O7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 308.28 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 308.08960285 g/mol |
| Monoisotopic Mass | 308.08960285 g/mol |
| Topological Polar Surface Area | 91.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 609 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Allamandicin is a natural product found in Allamanda schottii with data available.