4'-epi-6'-Hydroxydaunorubicin
TL;DR: 4'-epi-6'-Hydroxydaunorubicin (CAS 58976-44-6) is a chemical compound with molecular formula C27H29NO11 and molecular weight 543.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 6'-Hydroxydaunomycin, 4'-epi-6'-Hydroxydaunorubicin, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3-dideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, 8-Acetyl-10-((3-amino-2,3-dideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione (8S-cis)-
| Molecular Formula | C27H29NO11 |
|---|---|
| Molecular Weight | 543.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.1741 |
| Heavy Atoms | 39 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 58976-44-6 |
|---|---|
| SMILES | CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)CO)O)N)O |
| InChIKey | GZDQEARIRBYISX-UHFFFAOYSA-N |
Product Overview
4'-epi-6'-Hydroxydaunorubicin (CAS 58976-44-6), with molecular formula C27H29NO11 and molecular weight 543.17 g/mol. IUPAC: 9-acetyl-7-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4'-epi-6'-Hydroxydaunorubicin
Property Insights of 4'-epi-6'-Hydroxydaunorubicin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-epi-6'-Hydroxydaunorubicin. The TPSA of 206.0 Ų indicates high polarity, suggesting 4'-epi-6'-Hydroxydaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-epi-6'-Hydroxydaunorubicin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-epi-6'-Hydroxydaunorubicin?
The CAS number of 4'-epi-6'-Hydroxydaunorubicin is 58976-44-6.
What is the molecular formula of 4'-epi-6'-Hydroxydaunorubicin?
The molecular formula of 4'-epi-6'-Hydroxydaunorubicin is C27H29NO11.
What is the molecular weight of 4'-epi-6'-Hydroxydaunorubicin?
The molecular weight of 4'-epi-6'-Hydroxydaunorubicin is 543.17 g/mol.
Where can I buy 4'-epi-6'-Hydroxydaunorubicin?
You can request a quote for 4'-epi-6'-Hydroxydaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-epi-6'-Hydroxydaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 4'-epi-6'-Hydroxydaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.