5-((Glucopyranosyloxy)methyl)uracil
TL;DR: 5-((Glucopyranosyloxy)methyl)uracil (CAS 54964-84-0) is a chemical compound with molecular formula C16H24N2O11 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrimidine-2,4-dione
Also Known As: beta-Ghmu, J base, DNA base J, Beta-D-glucosylhydroxymethyluracil, 5-((Glucopyranosyloxy)methyl)uracil
| Molecular Formula | C16H24N2O11 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.138 |
| Heavy Atoms | 29 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 54964-84-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O |
| InChIKey | LHASLBSEALHFGO-ASZAQJJISA-N |
Product Overview
5-((Glucopyranosyloxy)methyl)uracil (CAS 54964-84-0), with molecular formula C16H24N2O11 and molecular weight 420.14 g/mol. IUPAC: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-((Glucopyranosyloxy)methyl)uracil
Property Insights of 5-((Glucopyranosyloxy)methyl)uracil
The XLogP value of -4.0 indicates that 5-((Glucopyranosyloxy)methyl)uracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting 5-((Glucopyranosyloxy)methyl)uracil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-((Glucopyranosyloxy)methyl)uracil has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((Glucopyranosyloxy)methyl)uracil?
The CAS number of 5-((Glucopyranosyloxy)methyl)uracil is 54964-84-0.
What is the molecular formula of 5-((Glucopyranosyloxy)methyl)uracil?
The molecular formula of 5-((Glucopyranosyloxy)methyl)uracil is C16H24N2O11.
What is the molecular weight of 5-((Glucopyranosyloxy)methyl)uracil?
The molecular weight of 5-((Glucopyranosyloxy)methyl)uracil is 420.14 g/mol.
Where can I buy 5-((Glucopyranosyloxy)methyl)uracil?
You can request a quote for 5-((Glucopyranosyloxy)methyl)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((Glucopyranosyloxy)methyl)uracil?
Yes, KEHONG BIO provides custom synthesis services for 5-((Glucopyranosyloxy)methyl)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.