24385-10-2
Product Name:
Doxorubicinone
Formula:
C21H18O9
Synonyms:
(8S,10S)-6,8,10,11-Tetrahydroxy-8-(hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;(8S,10S)-7,8,9,10-Tetrahydro-6,8,10,11-tetrahydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione;Adriamycin aglycone;Adriamycinone;Doxorubicin aglycone
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 414.4 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 414.09508215 g/mol |
| Monoisotopic Mass | 414.09508215 g/mol |
| Topological Polar Surface Area | 162 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 738 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Adriamycinone is a member of tetracenes and a quinone.