(8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride
TL;DR: (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride (CAS 79867-86-0) is a chemical compound with molecular formula C26H28ClNO10 and molecular weight 549.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methyloxolan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride, (7S,9S)-9-acetyl-7-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methyloxolan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-, 8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-, (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-3,5-dideoxy-alpha-D-ribofuranoside--hydrogen chloride (1/1)
| Molecular Formula | C26H28ClNO10 |
|---|---|
| Molecular Weight | 549.14 g/mol |
| LogP | 1.0606 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.1402 |
| Heavy Atoms | 38 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 79867-86-0 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H]([C@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)N.Cl |
| InChIKey | GRXYHNFFJITBLV-AMJZNUMFSA-N |
Product Overview
(8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride (CAS 79867-86-0), with molecular formula C26H28ClNO10 and molecular weight 549.14 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methyloxolan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride
Property Insights of (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride
The XLogP value of 1.0606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride. The TPSA of 186.0 Ų indicates high polarity, suggesting (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride?
The CAS number of (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride is 79867-86-0.
What is the molecular formula of (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride?
The molecular formula of (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride is C26H28ClNO10.
What is the molecular weight of (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride?
The molecular weight of (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride is 549.14 g/mol.
Where can I buy (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride?
You can request a quote for (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (8S-cis)-8-Acetyl-10-((3-amino-3,5-dideoxy-alpha-D-ribofuranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.