7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone
TL;DR: 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone (CAS 100349-06-2) is a chemical compound with molecular formula C27H26O11 and molecular weight 526.1475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde
Also Known As: 7-Tfpa, 7-O-(2,3,5-Trideoxy-3-C-formylpentafuranosyl)adriamycinone, (E)-5-(2-(Methylthio)vinyl)-6-aza-2'-deoxyuridine, 7-O-(2,3,5-Trideoxy-3-C-formyl-alpha-L-threo-pentafuranosyl)doxomycinone, (2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde
Technical Specifications
| Molecular Formula | C27H26O11 |
| Molecular Weight | 526.1475 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.1475 Da |
| Heavy Atoms | 38 |
| Complexity | 969.0 |
| SMILES | C[C@H]1[C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)C=O |
| InChIKey | JKZAEYKWDZYMJV-BMFNZSJVSA-N |
Chemical Property Profile of 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone
Property Insights of 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone. The TPSA of 177.0 Ų indicates high polarity, suggesting 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone?
The CAS number of 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone is 100349-06-2.
What is the molecular formula of 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone?
The molecular formula of 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone is C27H26O11.
What is the molecular weight of 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone?
The molecular weight of 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone is 526.1475 g/mol.
Where can I buy 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone?
You can request a quote for 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone?
Yes, CoreyChem provides custom synthesis services for 7-O-(2,3,5-trideoxy-3-C-formylpentafuranosyl)adriamycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.