4''-Dehydrorhodomycin-Y
TL;DR: 4''-Dehydrorhodomycin-Y (CAS 76264-96-5) is a chemical compound with molecular formula C40H51NO14 and molecular weight 769.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: gamma-Rmn-A, gamma-Rhodomycin RDC, 4''-Dehydrorhodomycin-Y, 4''-Dehydrorhodomycin Y, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-trans)-
| Molecular Formula | C40H51NO14 |
|---|---|
| Molecular Weight | 769.33 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 769.33093 |
| Heavy Atoms | 55 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 76264-96-5 |
|---|---|
| SMILES | CC[C@]1(CCC2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5CCC(=O)[C@@H](O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O |
| InChIKey | ZGHABFLNDHDLAM-DLFRUNNTSA-N |
Product Overview
4''-Dehydrorhodomycin-Y (CAS 76264-96-5), with molecular formula C40H51NO14 and molecular weight 769.33 g/mol. IUPAC: (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4''-Dehydrorhodomycin-Y
Property Insights of 4''-Dehydrorhodomycin-Y
The XLogP value of 3.9 indicates that 4''-Dehydrorhodomycin-Y is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting 4''-Dehydrorhodomycin-Y may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4''-Dehydrorhodomycin-Y has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4''-Dehydrorhodomycin-Y?
The CAS number of 4''-Dehydrorhodomycin-Y is 76264-96-5.
What is the molecular formula of 4''-Dehydrorhodomycin-Y?
The molecular formula of 4''-Dehydrorhodomycin-Y is C40H51NO14.
What is the molecular weight of 4''-Dehydrorhodomycin-Y?
The molecular weight of 4''-Dehydrorhodomycin-Y is 769.33 g/mol.
Where can I buy 4''-Dehydrorhodomycin-Y?
You can request a quote for 4''-Dehydrorhodomycin-Y directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4''-Dehydrorhodomycin-Y?
Yes, KEHONG BIO provides custom synthesis services for 4''-Dehydrorhodomycin-Y and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.