2'-Phospho-5'-adenylyl sulfate
TL;DR: 2'-Phospho-5'-adenylyl sulfate (CAS 62230-89-1) is a chemical compound with molecular formula C10H15N5O13P2S and molecular weight 506.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate
Also Known As: 2'-Phosphoadenylylsulfate, 2'-phospho-5'-adenylyl sulfate, 2'-phosphoadenylyl sulfate, 2 -Phosphoadenylyl sulfate, 2'-O-phosphono-5'-adenylyl sulfate
| Molecular Formula | C10H15N5O13P2S |
|---|---|
| Molecular Weight | 506.99 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.98624 |
| Heavy Atoms | 31 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 62230-89-1 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)O)OP(=O)(O)O)N |
| InChIKey | SGNZKKOMSOPYFR-KQYNXXCUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Phospho-5'-adenylyl sulfate (CAS 62230-89-1), with molecular formula C10H15N5O13P2S and molecular weight 506.99 g/mol. IUPAC: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate.
Chemical Property Profile of 2'-Phospho-5'-adenylyl sulfate
Property Insights of 2'-Phospho-5'-adenylyl sulfate
The XLogP value of -5.0 indicates that 2'-Phospho-5'-adenylyl sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 284.0 Ų indicates high polarity, suggesting 2'-Phospho-5'-adenylyl sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Phospho-5'-adenylyl sulfate has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Phospho-5'-adenylyl sulfate?
The CAS number of 2'-Phospho-5'-adenylyl sulfate is 62230-89-1.
What is the molecular formula of 2'-Phospho-5'-adenylyl sulfate?
The molecular formula of 2'-Phospho-5'-adenylyl sulfate is C10H15N5O13P2S.
What is the molecular weight of 2'-Phospho-5'-adenylyl sulfate?
The molecular weight of 2'-Phospho-5'-adenylyl sulfate is 506.99 g/mol.
Where can I buy 2'-Phospho-5'-adenylyl sulfate?
You can request a quote for 2'-Phospho-5'-adenylyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Phospho-5'-adenylyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Phospho-5'-adenylyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.