Datpalphas
TL;DR: Datpalphas (CAS 80875-87-2) 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)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Also Known As: Datpalphas, a-Thio-dATP, 2'-Deoxyadenosine-5'-O-(1-thiotriphosphate) lithium salt, (S)-2'-Deoxyadenosine 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(S)(OH)2), Adenosine, 2'-deoxy-, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(S)(OH)2), (S)-
| Molecular Formula | C10H16N5O11P3S |
|---|---|
| Molecular Weight | 506.98 g/mol |
| LogP | -0.4834 |
| Topological Polar Surface Area | 241.83 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.978 |
| Heavy Atoms | 30 |
| Complexity | 1077.0548 |
Chemical Identifiers
| CAS Number | 80875-87-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O |
Product Overview
Datpalphas (CAS 80875-87-2), with molecular formula C10H16N5O11P3S and molecular weight 506.98 g/mol. IUPAC: [[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate.
Chemical Property Profile of Datpalphas
Property Insights of Datpalphas
The XLogP value of -0.4834 indicates that Datpalphas is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 241.83 Ų indicates high polarity, suggesting Datpalphas may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Datpalphas has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Datpalphas?
The CAS number of Datpalphas is 80875-87-2.
What is the molecular formula of Datpalphas?
The molecular formula of Datpalphas is C10H16N5O11P3S.
What is the molecular weight of Datpalphas?
The molecular weight of Datpalphas is 506.98 g/mol.
Where can I buy Datpalphas?
You can request a quote for Datpalphas directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Datpalphas?
Yes, KEHONG BIO provides custom synthesis services for Datpalphas and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.