7-O-(beta-D-Glucosaminyl)daunomycinone
TL;DR: 7-O-(beta-D-Glucosaminyl)daunomycinone (CAS 22423-39-8) is a chemical compound with molecular formula C27H29NO12 and molecular weight 559.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 7-O-(beta-D-Glucosaminyl)daunomycinone, (2-BROMOPHENOXY)ACETYL CHLORIDE, 2-tert-Butyl-cis-4,cis-6-dimethyl-1,3-dithiane, 7-O-(2-deoxy-2-amino-, A-D-glucosyl)daunomycinone
| Molecular Formula | C27H29NO12 |
|---|---|
| Molecular Weight | 559.17 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 559.16895 |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 22423-39-8 |
|---|---|
| SMILES | CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)N)O |
| InChIKey | IFHBDVVOPIRSJL-GIZHIAPPSA-N |
Product Overview
7-O-(beta-D-Glucosaminyl)daunomycinone (CAS 22423-39-8), with molecular formula C27H29NO12 and molecular weight 559.17 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 7-O-(beta-D-Glucosaminyl)daunomycinone
Property Insights of 7-O-(beta-D-Glucosaminyl)daunomycinone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-O-(beta-D-Glucosaminyl)daunomycinone. The TPSA of 226.0 Ų indicates high polarity, suggesting 7-O-(beta-D-Glucosaminyl)daunomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-O-(beta-D-Glucosaminyl)daunomycinone has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-O-(beta-D-Glucosaminyl)daunomycinone?
The CAS number of 7-O-(beta-D-Glucosaminyl)daunomycinone is 22423-39-8.
What is the molecular formula of 7-O-(beta-D-Glucosaminyl)daunomycinone?
The molecular formula of 7-O-(beta-D-Glucosaminyl)daunomycinone is C27H29NO12.
What is the molecular weight of 7-O-(beta-D-Glucosaminyl)daunomycinone?
The molecular weight of 7-O-(beta-D-Glucosaminyl)daunomycinone is 559.17 g/mol.
Where can I buy 7-O-(beta-D-Glucosaminyl)daunomycinone?
You can request a quote for 7-O-(beta-D-Glucosaminyl)daunomycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-O-(beta-D-Glucosaminyl)daunomycinone?
Yes, KEHONG BIO provides custom synthesis services for 7-O-(beta-D-Glucosaminyl)daunomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.