1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol
TL;DR: 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol (CAS 81691-06-7) is a chemical compound with molecular formula C10H14N2O6 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
Also Known As: 3-Methylpseudouridine, 5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione, 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol
| Molecular Formula | C10H14N2O6 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.08517 |
| Heavy Atoms | 18 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 81691-06-7 |
|---|---|
| SMILES | CN1C(=O)C(=CNC1=O)C2C(C(C(O2)CO)O)O |
| InChIKey | DXEJZRDJXRVUPN-UHFFFAOYSA-N |
Product Overview
1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol (CAS 81691-06-7), with molecular formula C10H14N2O6 and molecular weight 258.09 g/mol. IUPAC: 5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol
Property Insights of 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol
The XLogP value of -2.6 indicates that 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol 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 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol. Following Lipinski's Rule of Five, 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol 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 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol?
The CAS number of 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol is 81691-06-7.
What is the molecular formula of 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol?
The molecular formula of 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol is C10H14N2O6.
What is the molecular weight of 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol?
The molecular weight of 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol is 258.09 g/mol.
Where can I buy 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol?
You can request a quote for 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Anhydro-1-(2-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.