5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate
TL;DR: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate (CAS 81975-92-0) is a chemical compound with molecular formula C42H51NO16 and molecular weight 825.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[6-[(3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-2-methyl-3-(6-methyl-5-oxooxan-2-yl)oxyoxan-4-yl] acetate
Also Known As: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate, [6-[6-[(3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-2-methyl-3-(6-methyl-5-oxooxan-2-yl)oxyoxan-4-yl] acetate, [6-[6-[ oxy]-4-dimethylamino-2-methyl-oxan-3-yl]oxy-2-methyl-3- oxy-oxan-4-yl]acetate, 3-Acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-[3-O-acetyl-2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)hexopyranoside, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydrox
| Molecular Formula | C42H51NO16 |
|---|---|
| Molecular Weight | 825.32 g/mol |
| LogP | 2.899 |
| Topological Polar Surface Area | 234.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 825.3208 |
| Heavy Atoms | 59 |
| Complexity | 2049.9126 |
Chemical Identifiers
| CAS Number | 81975-92-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N(C)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)OC(=O)C |
Product Overview
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate (CAS 81975-92-0), with molecular formula C42H51NO16 and molecular weight 825.32 g/mol. IUPAC: [6-[6-[(3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-2-methyl-3-(6-methyl-5-oxooxan-2-yl)oxyoxan-4-yl] acetate.
Chemical Property Profile of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate
Property Insights of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate
The XLogP value of 2.899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate. The TPSA of 234.12 Ų indicates high polarity, suggesting 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate?
The CAS number of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate is 81975-92-0.
What is the molecular formula of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate?
The molecular formula of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate is C42H51NO16.
What is the molecular weight of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate?
The molecular weight of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate is 825.32 g/mol.
Where can I buy 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate?
You can request a quote for 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate?
Yes, KEHONG BIO provides custom synthesis services for 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1,6,8,11-tetrahydroxy-, (8S-cis)-,hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.