N,N''-Methylenebis-5'-adenylic acid
TL;DR: N,N''-Methylenebis-5'-adenylic acid (CAS 41129-10-6) is a chemical compound with molecular formula C21H28N10O14P2 and molecular weight 706.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: N,N''-Methylenebis-5'-adenylic acid, 5'-Adenylic acid, N,N''-methylenebis-, methanediylbis{imino-9h-purine-6,9-diyl[(2r,3s,4r,5r)-3,4-dihydroxytetrahydrofuran-5,2-diyl]methanediyl} bis[dihydrogen(phosphate)](non-preferred name), [(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
| Molecular Formula | C21H28N10O14P2 |
|---|---|
| Molecular Weight | 706.13 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 344.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 706.12616 |
| Heavy Atoms | 47 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 41129-10-6 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)O)O)O |
| InChIKey | PTGQMINRMBRBAG-NAGRZYTCSA-N |
Product Overview
N,N''-Methylenebis-5'-adenylic acid (CAS 41129-10-6), with molecular formula C21H28N10O14P2 and molecular weight 706.13 g/mol. IUPAC: [(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of N,N''-Methylenebis-5'-adenylic acid
Property Insights of N,N''-Methylenebis-5'-adenylic acid
The XLogP value of -5.9 indicates that N,N''-Methylenebis-5'-adenylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 344.0 Ų indicates high polarity, suggesting N,N''-Methylenebis-5'-adenylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N''-Methylenebis-5'-adenylic acid has 10 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N''-Methylenebis-5'-adenylic acid?
The CAS number of N,N''-Methylenebis-5'-adenylic acid is 41129-10-6.
What is the molecular formula of N,N''-Methylenebis-5'-adenylic acid?
The molecular formula of N,N''-Methylenebis-5'-adenylic acid is C21H28N10O14P2.
What is the molecular weight of N,N''-Methylenebis-5'-adenylic acid?
The molecular weight of N,N''-Methylenebis-5'-adenylic acid is 706.13 g/mol.
Where can I buy N,N''-Methylenebis-5'-adenylic acid?
You can request a quote for N,N''-Methylenebis-5'-adenylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N''-Methylenebis-5'-adenylic acid?
Yes, KEHONG BIO provides custom synthesis services for N,N''-Methylenebis-5'-adenylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.