beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate
TL;DR: beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate (CAS 116371-34-7) is a chemical compound with molecular formula C21H29ClN10O18P4 and molecular weight 868.03 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]-chloromethyl]phosphonic acid
Also Known As: Appchcl-ppa, [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]-chloromethyl]phosphonic acid, beta,beta'-Monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate, 5'-Adenylic acid, 5'-P:5'''-P'-dianhydride with (chloromethylene)bis(phosphonic acid), beta,beta/'-monochloromethylene diadenosine 5/',5/'/'/'-P(1),P(4)-tetraphosphate
Technical Specifications
| Molecular Formula | C21H29ClN10O18P4 |
| Molecular Weight | 868.03 g/mol |
| XLogP | -7.7 |
| Topological Polar Surface Area (TPSA) | 425.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 14 |
| Exact Mass | 868.03 Da |
| Heavy Atoms | 54 |
| Complexity | 1550.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)OP(=O)(C(P(=O)(O)O)Cl)O)O)O)N |
| InChIKey | WJVKFIBTKWVSPQ-GLYJMQRISA-N |
Product Description
Applications: beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate (CAS 116371-34-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate is a fine chemical identified by CAS number 116371-34-7 and the molecular formula C21H29ClN10O18P4 and a molecular weight of 868.03 g/mol. It is also known as Appchcl-ppa and [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]-chloromethyl]phosphonic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate
Property Insights of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate
The XLogP value of -7.7 indicates that beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 425.0 Ų indicates high polarity, suggesting beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate has 10 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate?
The CAS number of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate is 116371-34-7.
What is the molecular formula of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate?
The molecular formula of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate is C21H29ClN10O18P4.
What is the molecular weight of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate?
The molecular weight of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate is 868.03 g/mol.
What are the applications of beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate?
beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate...
Where can I buy beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate?
You can request a quote for beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate?
Yes, CoreyChem provides custom synthesis services for beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.