666-99-9
Product Name:
AGARIC ACID
Formula:
C22H40O7
Synonyms:
2-Hydroxy-1,2,3-nona-decane-tricarboxylic acid;Agaricic acid;Agaricin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 213.1 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 416.5 g/mol |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 20 |
| Exact Mass | 416.27740361 g/mol |
| Monoisotopic Mass | 416.27740361 g/mol |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 478 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Agaric acid is a natural product found in Ischnoderma benzoinum with data available.