79389-53-0
Product Name:
Benzaldehyde, 4-[(1R,2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, rel-
Formula:
C18H20O7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 348.3 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 348.12090297 g/mol |
| Monoisotopic Mass | 348.12090297 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 405 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
3-Methoxy-4-[[(alphaR,betaS)-alpha-(hydroxymethyl)-beta,4-dihydroxy-3-methoxyphenethyl]oxy]benzaldehyde is a natural product found in Crataegus pinnatifida with data available.