Adenosine 2'-phosphate 5'-methylenephosphosulfate
TL;DR: Adenosine 2'-phosphate 5'-methylenephosphosulfate (CAS 136439-91-3) is a chemical compound with molecular formula C11H17N5O12P2S and molecular weight 505.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
Also Known As: 2'-Mepaps, Adenosine 2'-phosphate 5'-methylenephosphosulfate, Adenosine 2/'-phosphate 5/'-methylenephosphosulfate, Piperazine, 1-(2,2,6,6-tetramethyl-4-piperidinyl)-, 2'-Adenylic acid, 5'-(hydrogen(sulfomethyl)phosphonate)
| Molecular Formula | C11H17N5O12P2S |
|---|---|
| Molecular Weight | 505.01 g/mol |
| LogP | -1.808 |
| Topological Polar Surface Area | 266.74 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.00696 |
| Heavy Atoms | 31 |
| Complexity | 1166.8921 |
Chemical Identifiers
| CAS Number | 136439-91-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)O)O)O)OP(=O)(O)O)N |
Product Overview
Adenosine 2'-phosphate 5'-methylenephosphosulfate (CAS 136439-91-3), with molecular formula C11H17N5O12P2S and molecular weight 505.01 g/mol. IUPAC: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid.
Chemical Property Profile of Adenosine 2'-phosphate 5'-methylenephosphosulfate
Property Insights of Adenosine 2'-phosphate 5'-methylenephosphosulfate
The XLogP value of -1.808 indicates that Adenosine 2'-phosphate 5'-methylenephosphosulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.74 Ų indicates high polarity, suggesting Adenosine 2'-phosphate 5'-methylenephosphosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine 2'-phosphate 5'-methylenephosphosulfate 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 Adenosine 2'-phosphate 5'-methylenephosphosulfate?
The CAS number of Adenosine 2'-phosphate 5'-methylenephosphosulfate is 136439-91-3.
What is the molecular formula of Adenosine 2'-phosphate 5'-methylenephosphosulfate?
The molecular formula of Adenosine 2'-phosphate 5'-methylenephosphosulfate is C11H17N5O12P2S.
What is the molecular weight of Adenosine 2'-phosphate 5'-methylenephosphosulfate?
The molecular weight of Adenosine 2'-phosphate 5'-methylenephosphosulfate is 505.01 g/mol.
Where can I buy Adenosine 2'-phosphate 5'-methylenephosphosulfate?
You can request a quote for Adenosine 2'-phosphate 5'-methylenephosphosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine 2'-phosphate 5'-methylenephosphosulfate?
Yes, KEHONG BIO provides custom synthesis services for Adenosine 2'-phosphate 5'-methylenephosphosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.