5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate
TL;DR: 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate (CAS 77423-48-4) is a chemical compound with molecular formula C10H17N2O15P3 and molecular weight 497.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-phosphonooxymethyl] phosphono hydrogen phosphate
Also Known As: Ppomedump, 5-(Hydroxymethyl-O-pyrophosphoryl)deoxyuridylate, 5'-Thymidylic acid, alpha-((hydroxy(phosphonooxy)phosphinyl)oxy)-, (R)-, 5'-Thymidylic acid, a-[[hydroxy(phosphonooxy)phosphinyl]oxy]-(9CI), [[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-phosphonooxymethyl] phosphono hydrogen phosphate
| Molecular Formula | C10H17N2O15P3 |
|---|---|
| Molecular Weight | 497.98 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.9842 |
| Heavy Atoms | 30 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 77423-48-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C(OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | BYJABPFCUYTWLZ-WPRFRAJKSA-N |
Product Overview
5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate (CAS 77423-48-4), with molecular formula C10H17N2O15P3 and molecular weight 497.98 g/mol. IUPAC: [[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-phosphonooxymethyl] phosphono hydrogen phosphate.
Chemical Property Profile of 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate
Property Insights of 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate
The XLogP value of -5.5 indicates that 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate?
The CAS number of 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate is 77423-48-4.
What is the molecular formula of 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate?
The molecular formula of 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate is C10H17N2O15P3.
What is the molecular weight of 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate?
The molecular weight of 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate is 497.98 g/mol.
Where can I buy 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate?
You can request a quote for 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate 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)deoxyuridylate?
Yes, KEHONG BIO provides custom synthesis services for 5-(hydroxymethyl-O-pyrophosphoryl)deoxyuridylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.