5-((hydroxymethyl)-O-pyrophosphoryl)uracil
TL;DR: 5-((hydroxymethyl)-O-pyrophosphoryl)uracil (CAS 77431-77-7) is a chemical compound with molecular formula C5H8N2O9P2 and molecular weight 301.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dioxo-1H-pyrimidin-5-yl)methyl phosphono hydrogen phosphate
Also Known As: HMPPU, 5-((Hydroxymethyl)-O-pyrophosphoryl)uracil, (2,4-dioxo-1H-pyrimidin-5-yl)methyl phosphono hydrogen phosphate, (2,4-Dihydroxypyrimidin-5-yl)methyl trihydrogen diphosphate, Diphosphoric acid, mono((1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methyl) ester
| Molecular Formula | C5H8N2O9P2 |
|---|---|
| Molecular Weight | 301.97 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.9705 |
| Heavy Atoms | 18 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 77431-77-7 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)COP(=O)(O)OP(=O)(O)O |
| InChIKey | CHBBVOLNJBUVGQ-UHFFFAOYSA-N |
Product Overview
5-((hydroxymethyl)-O-pyrophosphoryl)uracil (CAS 77431-77-7), with molecular formula C5H8N2O9P2 and molecular weight 301.97 g/mol. IUPAC: (2,4-dioxo-1H-pyrimidin-5-yl)methyl phosphono hydrogen phosphate.
Chemical Property Profile of 5-((hydroxymethyl)-O-pyrophosphoryl)uracil
Property Insights of 5-((hydroxymethyl)-O-pyrophosphoryl)uracil
The XLogP value of -4.0 indicates that 5-((hydroxymethyl)-O-pyrophosphoryl)uracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting 5-((hydroxymethyl)-O-pyrophosphoryl)uracil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-((hydroxymethyl)-O-pyrophosphoryl)uracil has 5 hydrogen bond donor(s) and 9 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 5-((hydroxymethyl)-O-pyrophosphoryl)uracil?
The CAS number of 5-((hydroxymethyl)-O-pyrophosphoryl)uracil is 77431-77-7.
What is the molecular formula of 5-((hydroxymethyl)-O-pyrophosphoryl)uracil?
The molecular formula of 5-((hydroxymethyl)-O-pyrophosphoryl)uracil is C5H8N2O9P2.
What is the molecular weight of 5-((hydroxymethyl)-O-pyrophosphoryl)uracil?
The molecular weight of 5-((hydroxymethyl)-O-pyrophosphoryl)uracil is 301.97 g/mol.
Where can I buy 5-((hydroxymethyl)-O-pyrophosphoryl)uracil?
You can request a quote for 5-((hydroxymethyl)-O-pyrophosphoryl)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((hydroxymethyl)-O-pyrophosphoryl)uracil?
Yes, KEHONG BIO provides custom synthesis services for 5-((hydroxymethyl)-O-pyrophosphoryl)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.