88969-00-0
Product Name:
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-[5-[(6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy]-3-methyl-2-pentenoate], [4β,15[2E,5(2E,4E)]]- (9CI)
Formula:
C29H38O9
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 530.6 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 13 |
| Exact Mass | 530.25158279 g/mol |
| Monoisotopic Mass | 530.25158279 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1070 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |