91653-37-1
Product Name:
(5'α,10α)-9,10-Dihydro-12'-hydroxy-2'-Methyl-3',6',18-trioxo-5'-(phenylMethyl)-7',8'-secoergotaMan-8'-oic Acid
Formula:
C33H37N5O7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 615.7 g/mol |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 615.26929854 g/mol |
| Monoisotopic Mass | 615.26929854 g/mol |
| Topological Polar Surface Area | 164 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1210 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |