2'-Deoxy-3'-Ketouridine 5'-Diphosphonate
TL;DR: 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate (CAS 98303-20-9) is a chemical compound with molecular formula C9H12N2O11P2 and molecular weight 385.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2,4-dioxopyrimidin-1-yl)-3-oxooxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: 3'-Keto-2'-dudp, 2'-Deoxy-3'-oxo-UDP, KST-1A9224, 2'-Deoxy-3'-oxouridine 5'-diphosphate, 2'-Deoxy-3'-ketouridine 5'-diphosphate
| Molecular Formula | C9H12N2O11P2 |
|---|---|
| Molecular Weight | 385.99 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.99164 |
| Heavy Atoms | 24 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 98303-20-9 |
|---|---|
| SMILES | C1C(OC(C1=O)COP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O |
| InChIKey | VWWHJAXEDCVPRV-UHFFFAOYSA-N |
Product Overview
2'-Deoxy-3'-Ketouridine 5'-Diphosphonate (CAS 98303-20-9), with molecular formula C9H12N2O11P2 and molecular weight 385.99 g/mol. IUPAC: [5-(2,4-dioxopyrimidin-1-yl)-3-oxooxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate
Property Insights of 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate
The XLogP value of -4.1 indicates that 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate has 4 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 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate?
The CAS number of 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate is 98303-20-9.
What is the molecular formula of 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate?
The molecular formula of 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate is C9H12N2O11P2.
What is the molecular weight of 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate?
The molecular weight of 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate is 385.99 g/mol.
Where can I buy 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate?
You can request a quote for 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-3'-Ketouridine 5'-Diphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.