1-(2'-Deoxy-beta-D-glucopyranosyl)thymine
TL;DR: 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine (CAS 5116-45-0) is a chemical compound with molecular formula C11H16N2O6 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Deoxyglucosylthymine, Deoxyglucopyranosylthymine, 1-GPT, 1-(Ribofuranosyl)-pyrid-2-on, 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine
| Molecular Formula | C11H16N2O6 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10083 |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 5116-45-0 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@@H]([C@H](O2)CO)O)O |
| InChIKey | VVJYUAYZJAKGRQ-BGZDPUMWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2'-Deoxy-beta-D-glucopyranosyl)thymine (CAS 5116-45-0), with molecular formula C11H16N2O6 and molecular weight 272.10 g/mol. IUPAC: 1-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine
Property Insights of 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine
The XLogP value of -1.8 indicates that 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine. Following Lipinski's Rule of Five, 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine has 4 hydrogen bond donor(s) and 6 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 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine?
The CAS number of 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine is 5116-45-0.
What is the molecular formula of 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine?
The molecular formula of 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine is C11H16N2O6.
What is the molecular weight of 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine?
The molecular weight of 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine is 272.10 g/mol.
Where can I buy 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine?
You can request a quote for 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2'-Deoxy-beta-D-glucopyranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.