P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate
TL;DR: P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate (CAS 127692-31-3) is a chemical compound with molecular formula C20H28N10O17P4S2 and molecular weight 868.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Badttp, KST-1A0977, P(1),P(4)-Bis(5'-adenosyl)-1,4-dithiotetraphosphate, P(1),P(4)-bis(5/'-adenosyl)-1,4-dithiotetraphosphate, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl] hydrogen phosphate
| Molecular Formula | C20H28N10O17P4S2 |
|---|---|
| Molecular Weight | 868.00 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 464.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Exact Mass | 868.00256 |
| Heavy Atoms | 53 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 127692-31-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)OP(=O)(O)OP(=O)(O)OP(=S)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N |
| InChIKey | JIZRAGCAYQMDIX-BTSZXFKFSA-N |
Product Overview
P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate (CAS 127692-31-3), with molecular formula C20H28N10O17P4S2 and molecular weight 868.00 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate
Property Insights of P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate
The XLogP value of -4.8 indicates that P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 464.0 Ų indicates high polarity, suggesting P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate has 10 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate?
The CAS number of P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate is 127692-31-3.
What is the molecular formula of P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate?
The molecular formula of P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate is C20H28N10O17P4S2.
What is the molecular weight of P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate?
The molecular weight of P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate is 868.00 g/mol.
Where can I buy P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate?
You can request a quote for P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate?
Yes, KEHONG BIO provides custom synthesis services for P(1),P(4)-bis(5'-adenosyl)-1,4-dithiotetraphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.