958734-32-2
Product Name:
L-arabino-L-manno-Nononic acid, 4,8-anhydro-2,6,9-trideoxy-2,6-dimethyl-4-C-methyl-, 7-[(2E,4S)-4-hydroxy-2-octenoate]
Formula:
C20H34O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.5 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 402.22536804 g/mol |
| Monoisotopic Mass | 402.22536804 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 562 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
Botcinic acid is a natural product found in Botrytis cinerea with data available.