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 Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[[(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
| Molecular Formula | C21H29ClN10O18P4 |
|---|---|
| Molecular Weight | 868.03 g/mol |
| LogP | -1.7706 |
| Topological Polar Surface Area | 424.74 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 868.03 |
| Heavy Atoms | 54 |
| Complexity | 2228.1606 |
Chemical Identifiers
| CAS Number | 116371-34-7 |
|---|---|
| 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 |
Product Overview
beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate (CAS 116371-34-7), with molecular formula C21H29ClN10O18P4 and molecular weight 868.03 g/mol. IUPAC: [[[(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.
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 -1.7706 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 424.74 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 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate?
Yes, KEHONG BIO 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.