2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione
TL;DR: 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione (CAS 102830-99-9) is a chemical compound with molecular formula C21H21NO8 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-hydroxyanthracene-9,10-dione
Also Known As: 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione, 9,10-Anthracenedione, 2-(((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-, (1-Hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl 2-amino-2-deoxyhexopyranoside, (1-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl 2-amino-2-deoxy-beta-D-glucopyranoside, 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-hydroxyanthracene-9,10-dione
| Molecular Formula | C21H21NO8 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.1267 |
| Heavy Atoms | 30 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 102830-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)O |
| InChIKey | CIVVCVLPGSAYLX-XSZHUPSFSA-N |
Product Overview
2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione (CAS 102830-99-9), with molecular formula C21H21NO8 and molecular weight 415.13 g/mol. IUPAC: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-hydroxyanthracene-9,10-dione.
Chemical Property Profile of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione
Property Insights of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione. The TPSA of 160.0 Ų indicates high polarity, suggesting 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione?
The CAS number of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione is 102830-99-9.
What is the molecular formula of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione?
The molecular formula of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione is C21H21NO8.
What is the molecular weight of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione?
The molecular weight of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione is 415.13 g/mol.
Where can I buy 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione?
You can request a quote for 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.