Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-
TL;DR: Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- (CAS 87385-18-0) is a chemical compound with molecular formula C60H80N2O21 and molecular weight 1164.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Ditrisarubicin C, (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-, 5,12-Naphthacenedione, 10-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-4-O-((2S-(2-alpha,5-beta(2S*,6R*),6-beta))-5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7-alpha,8-beta,10-beta))-
| Molecular Formula | C60H80N2O21 |
|---|---|
| Molecular Weight | 1164.53 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 276.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 13 |
| Exact Mass | 1164.5254 |
| Heavy Atoms | 83 |
| Complexity | 2360.0 |
Chemical Identifiers
| CAS Number | 87385-18-0 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4CCC([C@@H](O4)C)O[C@H]5C=CC(=O)[C@@H](O5)C)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O[C@H]8C[C@@H]([C@@H]([C@@H](O8)C)O[C@H]9C[C@H]1[C@@H]([C@@H](O9)C)O[C@H]2[C@@H](O1)CC(=O)[C@@H](O2)C)N(C)C)O |
| InChIKey | SGOOJJACKKMDRV-NCSOINJOSA-N |
Product Overview
Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- (CAS 87385-18-0), with molecular formula C60H80N2O21 and molecular weight 1164.53 g/mol. IUPAC: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-
Property Insights of Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-
The XLogP value of 5.1 indicates that Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 276.0 Ų indicates high polarity, suggesting Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- has 4 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-?
The CAS number of Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- is 87385-18-0.
What is the molecular formula of Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-?
The molecular formula of Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- is C60H80N2O21.
What is the molecular weight of Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-?
The molecular weight of Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- is 1164.53 g/mol.
Where can I buy Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-?
You can request a quote for Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-?
Yes, KEHONG BIO provides custom synthesis services for Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.