7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone
TL;DR: 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone (CAS 59092-01-2) is a chemical compound with molecular formula C27H29NO10 and molecular weight 527.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9R)-9-acetyl-7-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,10-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 3',4'-epi-Daunomycin, Cid 151588, 7-O-(3-Amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone, (7S,9R)-9-acetyl-7-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,10-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, (1S,3R)-3-Acetyl-3,4,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranoside
| Molecular Formula | C27H29NO10 |
|---|---|
| Molecular Weight | 527.18 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 527.17914 |
| Heavy Atoms | 38 |
| Complexity | 960.0 |
Chemical Identifiers
| CAS Number | 59092-01-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O |
| InChIKey | OOJKXEMHVCCQBB-VSXSTMLYSA-N |
Product Overview
7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone (CAS 59092-01-2), with molecular formula C27H29NO10 and molecular weight 527.18 g/mol. IUPAC: (7S,9R)-9-acetyl-7-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,10-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone
Property Insights of 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone. The TPSA of 186.0 Ų indicates high polarity, suggesting 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone has 5 hydrogen bond donor(s) and 11 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-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone?
The CAS number of 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone is 59092-01-2.
What is the molecular formula of 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone?
The molecular formula of 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone is C27H29NO10.
What is the molecular weight of 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone?
The molecular weight of 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone is 527.18 g/mol.
Where can I buy 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone?
You can request a quote for 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)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-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone?
Yes, KEHONG BIO provides custom synthesis services for 7-O-(3-amino-2,3,6-trideoxy-alpha-ribo-hexopyranosyl)daunomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.