206978-14-5
Product Name:
EPOXYBERGAMOTTIN
Formula:
C21H22O5
Synonyms:
4-[[(2E)-5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-2-penten-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one;5-(6′,7′-Epoxy)geranyloxypsoralen;Bergamottin 6′,7′-epoxide;Epoxybergamottin
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 354.4 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 354.14672380 g/mol |
| Monoisotopic Mass | 354.14672380 g/mol |
| Topological Polar Surface Area | 61.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 608 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Epoxybergamottin is a member of psoralens.