88254-07-3
Product Name:
5,12-Naphthacenedione, 10-3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyloxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-
Formula:
C32H34N2O12
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 638.6 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 6 |
| Exact Mass | 638.21117452 g/mol |
| Monoisotopic Mass | 638.21117452 g/mol |
| Topological Polar Surface Area | 216 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1240 |
| 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 |
PRODUCT INTRODUCTION
description
3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin is a member of morpholines, a nitrile, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It has a role as an antineoplastic agent. It is functionally related to a doxorubicin.