epsilon-ISORMN-A
TL;DR: epsilon-ISORMN-A (CAS 76264-94-3) is a chemical compound with molecular formula C42H53NO17 and molecular weight 843.33 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-2,5,7,10,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: epsilon-ISORMN-A, sigma-Isormn-A, 11-Hydroxycinerubin A, sigma-Isorhodomycin rdc, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,10,12-pentahydroxy-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))-
| Molecular Formula | C42H53NO17 |
|---|---|
| Molecular Weight | 843.33 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 843.33136 |
| Heavy Atoms | 60 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 76264-94-3 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)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 |
| InChIKey | PVOZBLLCDWUBEP-FRKBZVPNSA-N |
Product Overview
epsilon-ISORMN-A (CAS 76264-94-3), with molecular formula C42H53NO17 and molecular weight 843.33 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-2,5,7,10,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of epsilon-ISORMN-A
Property Insights of epsilon-ISORMN-A
The XLogP value of 3.6 indicates that epsilon-ISORMN-A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 258.0 Ų indicates high polarity, suggesting epsilon-ISORMN-A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, epsilon-ISORMN-A has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of epsilon-ISORMN-A?
The CAS number of epsilon-ISORMN-A is 76264-94-3.
What is the molecular formula of epsilon-ISORMN-A?
The molecular formula of epsilon-ISORMN-A is C42H53NO17.
What is the molecular weight of epsilon-ISORMN-A?
The molecular weight of epsilon-ISORMN-A is 843.33 g/mol.
Where can I buy epsilon-ISORMN-A?
You can request a quote for epsilon-ISORMN-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for epsilon-ISORMN-A?
Yes, KEHONG BIO provides custom synthesis services for epsilon-ISORMN-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.