Xanthosine 5'-(trihydrogen diphosphate)
TL;DR: Xanthosine 5'-(trihydrogen diphosphate) (CAS 29042-61-3) is a chemical compound with molecular formula C10H14N4O12P2 and molecular weight 444.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: xanthosine diphosphate, xanthosine 5'-diphosphate, Xanthosine 5'-pyrophosphate, xanthosine 5'-(trihydrogen diphosphate), Xanthosine 5 -diphosphoric acid
| Molecular Formula | C10H14N4O12P2 |
|---|---|
| Molecular Weight | 444.01 g/mol |
| LogP | -5.1 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.00833 |
| Heavy Atoms | 28 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 29042-61-3 |
|---|---|
| SMILES | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O |
| InChIKey | YMOPVQQBWLGDOD-UUOKFMHZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthosine 5'-(trihydrogen diphosphate) (CAS 29042-61-3), with molecular formula C10H14N4O12P2 and molecular weight 444.01 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of Xanthosine 5'-(trihydrogen diphosphate)
Property Insights of Xanthosine 5'-(trihydrogen diphosphate)
The XLogP value of -5.1 indicates that Xanthosine 5'-(trihydrogen diphosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting Xanthosine 5'-(trihydrogen diphosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xanthosine 5'-(trihydrogen diphosphate) has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xanthosine 5'-(trihydrogen diphosphate)?
The CAS number of Xanthosine 5'-(trihydrogen diphosphate) is 29042-61-3.
What is the molecular formula of Xanthosine 5'-(trihydrogen diphosphate)?
The molecular formula of Xanthosine 5'-(trihydrogen diphosphate) is C10H14N4O12P2.
What is the molecular weight of Xanthosine 5'-(trihydrogen diphosphate)?
The molecular weight of Xanthosine 5'-(trihydrogen diphosphate) is 444.01 g/mol.
Where can I buy Xanthosine 5'-(trihydrogen diphosphate)?
You can request a quote for Xanthosine 5'-(trihydrogen diphosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthosine 5'-(trihydrogen diphosphate)?
Yes, KEHONG BIO provides custom synthesis services for Xanthosine 5'-(trihydrogen diphosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.