2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione
TL;DR: 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione (CAS 102831-02-7) is a chemical compound with molecular formula C21H21NO9 and molecular weight 431.12 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]-1,8-dihydroxyanthracene-9,10-dione
Also Known As: 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione, 9,10-Anthracenedione, 2-(((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-, (1,8-Dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl 2-amino-2-deoxyhexopyranoside, (1,8-dihydroxy-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]-1,8-dihydroxyanthracene-9,10-dione
| Molecular Formula | C21H21NO9 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.12164 |
| Heavy Atoms | 31 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 102831-02-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N |
| InChIKey | IVFRTBSFESQPQF-PUHZVXLXSA-N |
Product Overview
2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione (CAS 102831-02-7), with molecular formula C21H21NO9 and molecular weight 431.12 g/mol. IUPAC: 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,8-dihydroxyanthracene-9,10-dione.
Chemical Property Profile of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione
Property Insights of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione. The TPSA of 180.0 Ų indicates high polarity, suggesting 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-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)-1,8-dihydroxy-9,10-anthracenedione has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione?
The CAS number of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione is 102831-02-7.
What is the molecular formula of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione?
The molecular formula of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione is C21H21NO9.
What is the molecular weight of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione?
The molecular weight of 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione is 431.12 g/mol.
Where can I buy 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione?
You can request a quote for 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-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)-1,8-dihydroxy-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.