Methylglyoxal-deoxyguanosine adduct
TL;DR: Methylglyoxal-deoxyguanosine adduct (CAS 159062-85-8) is a chemical compound with molecular formula C13H17N5O6 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-5,7-dihydroimidazo[1,2-a]purin-9-one
Also Known As: MG-dG Adduct, Methylglyoxal-deoxyguanosine adduct, 3-(2-Deoxypentofuranosyl)-3,5,6,7-tetrahydro-6,7-dihydroxy-6-methyl-9H-imidazo(1,2-a)purin-9-one, (E)-3-(2-carboxyethenyl)-4,6-dichloroindole-2-carboxylic acid ethyl ester, 3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,5,6,7-tetrahydro-6,7-dihydroxy-6-methyl-9H-imidazo(1,2-a)purin-9-one
| Molecular Formula | C13H17N5O6 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.1179 |
| Heavy Atoms | 24 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 159062-85-8 |
|---|---|
| SMILES | CC1(C(N2C(=O)C3=C(N=C2N1)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | FGUOIKXAPPJNLE-GFAWAZIOSA-N |
Product Overview
Methylglyoxal-deoxyguanosine adduct (CAS 159062-85-8), with molecular formula C13H17N5O6 and molecular weight 339.12 g/mol. IUPAC: 6,7-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-5,7-dihydroimidazo[1,2-a]purin-9-one.
Chemical Property Profile of Methylglyoxal-deoxyguanosine adduct
Property Insights of Methylglyoxal-deoxyguanosine adduct
The XLogP value of -2.3 indicates that Methylglyoxal-deoxyguanosine adduct is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting Methylglyoxal-deoxyguanosine adduct may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylglyoxal-deoxyguanosine adduct has 5 hydrogen bond donor(s) and 8 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 Methylglyoxal-deoxyguanosine adduct?
The CAS number of Methylglyoxal-deoxyguanosine adduct is 159062-85-8.
What is the molecular formula of Methylglyoxal-deoxyguanosine adduct?
The molecular formula of Methylglyoxal-deoxyguanosine adduct is C13H17N5O6.
What is the molecular weight of Methylglyoxal-deoxyguanosine adduct?
The molecular weight of Methylglyoxal-deoxyguanosine adduct is 339.12 g/mol.
Where can I buy Methylglyoxal-deoxyguanosine adduct?
You can request a quote for Methylglyoxal-deoxyguanosine adduct directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylglyoxal-deoxyguanosine adduct?
Yes, KEHONG BIO provides custom synthesis services for Methylglyoxal-deoxyguanosine adduct and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.