epsilon-Rhodomycin rdc
TL;DR: epsilon-Rhodomycin rdc (CAS 76463-92-8) is a chemical compound with molecular formula C42H53NO15 and molecular weight 811.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-4-[(2R,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-2-ethyl-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: epsilon-Rhodomycin rdc, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,12-trihydroxy-4-((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)-, methyl ester,(1R-(1-alpha,2-beta,4-beta))-, 1-Naphthacenecarboxylicacid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-a-L-lyxo-hexopyranosyl]-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,methyl, Methyl (1R,2R,4S)-2-ethyl-2,5,12-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, methyl (1R,2R,4S)-4-[(2R,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-2-ethyl-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C42H53NO15 |
|---|---|
| Molecular Weight | 811.34 g/mol |
| LogP | 3.1577 |
| Topological Polar Surface Area | 217.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 811.3415 |
| Heavy Atoms | 58 |
| Complexity | 1938.8269 |
Chemical Identifiers
| CAS Number | 76463-92-8 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O |
Product Overview
epsilon-Rhodomycin rdc (CAS 76463-92-8), with molecular formula C42H53NO15 and molecular weight 811.34 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,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-2-ethyl-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of epsilon-Rhodomycin rdc
Property Insights of epsilon-Rhodomycin rdc
The XLogP value of 3.1577 indicates that epsilon-Rhodomycin rdc is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.05 Ų indicates high polarity, suggesting epsilon-Rhodomycin rdc may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, epsilon-Rhodomycin rdc has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of epsilon-Rhodomycin rdc?
The CAS number of epsilon-Rhodomycin rdc is 76463-92-8.
What is the molecular formula of epsilon-Rhodomycin rdc?
The molecular formula of epsilon-Rhodomycin rdc is C42H53NO15.
What is the molecular weight of epsilon-Rhodomycin rdc?
The molecular weight of epsilon-Rhodomycin rdc is 811.34 g/mol.
Where can I buy epsilon-Rhodomycin rdc?
You can request a quote for epsilon-Rhodomycin rdc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for epsilon-Rhodomycin rdc?
Yes, KEHONG BIO provides custom synthesis services for epsilon-Rhodomycin rdc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.