2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)
TL;DR: 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) (CAS 87358-15-4) is a chemical compound with molecular formula C10H16N5O11P3S and molecular weight 506.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Also Known As: Datpalphas, Sp-Datp alpha S, alpha-Thio-datp, Alpha Thiol dATP, dATP-alpha-S
| Molecular Formula | C10H16N5O11P3S |
|---|---|
| Molecular Weight | 506.98 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 274.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.978 |
| Heavy Atoms | 30 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 87358-15-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | CCPIKNHZOWQALM-DLQJRSQOSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) (CAS 87358-15-4), with molecular formula C10H16N5O11P3S and molecular weight 506.98 g/mol. IUPAC: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate.
Chemical Property Profile of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)
Property Insights of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)
The XLogP value of -2.7 indicates that 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 274.0 Ų indicates high polarity, suggesting 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)?
The CAS number of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) is 87358-15-4.
What is the molecular formula of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)?
The molecular formula of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) is C10H16N5O11P3S.
What is the molecular weight of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)?
The molecular weight of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) is 506.98 g/mol.
Where can I buy 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)?
You can request a quote for 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.