7-Deoxy-9-O-alpha-daunosaminyldaunomycinone
TL;DR: 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone (CAS 69804-34-8) is a chemical compound with molecular formula C27H29NO9 and molecular weight 511.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R)-9-acetyl-9-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone, (R)-8-Acetyl-8-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-1-methoxy-5,12-naphthacenedione, 5,12-Naphthacenedione, 8-acetyl-8-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-1-methoxy-, (R)-, (2R)-2-Acetyl-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside, (9R)-9-acetyl-9-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C27H29NO9 |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.18423 |
| Heavy Atoms | 37 |
| Complexity | 928.0 |
Chemical Identifiers
| CAS Number | 69804-34-8 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@]2(CCC3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)C(=O)C)N)O |
| InChIKey | WJCLITZQOAHCQO-CQQIFGIBSA-N |
Product Overview
7-Deoxy-9-O-alpha-daunosaminyldaunomycinone (CAS 69804-34-8), with molecular formula C27H29NO9 and molecular weight 511.18 g/mol. IUPAC: (9R)-9-acetyl-9-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone
Property Insights of 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone. The TPSA of 166.0 Ų indicates high polarity, suggesting 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone?
The CAS number of 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone is 69804-34-8.
What is the molecular formula of 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone?
The molecular formula of 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone is C27H29NO9.
What is the molecular weight of 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone?
The molecular weight of 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone is 511.18 g/mol.
Where can I buy 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone?
You can request a quote for 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone?
Yes, KEHONG BIO provides custom synthesis services for 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.