N6-Benzyl Adenosine-5'-Diphosphate
TL;DR: N6-Benzyl Adenosine-5'-Diphosphate (CAS 40811-89-0) is a chemical compound with molecular formula C17H21N5O10P2 and molecular weight 517.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: N6-Benzyl-ADP, 6-Bn-ADP, N6-BENZYL ADENOSINE-5'-DIPHOSPHATE, N-Benzyladenosine 5 -diphosphoric acid, J1.824.406C
| Molecular Formula | C17H21N5O10P2 |
|---|---|
| Molecular Weight | 517.08 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.07635 |
| Heavy Atoms | 34 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 40811-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O |
| InChIKey | MRHGMAGSDAQUFH-LSCFUAHRSA-N |
Product Overview
N6-Benzyl Adenosine-5'-Diphosphate (CAS 40811-89-0), with molecular formula C17H21N5O10P2 and molecular weight 517.08 g/mol. IUPAC: [(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of N6-Benzyl Adenosine-5'-Diphosphate
Property Insights of N6-Benzyl Adenosine-5'-Diphosphate
The XLogP value of -2.5 indicates that N6-Benzyl Adenosine-5'-Diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting N6-Benzyl Adenosine-5'-Diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N6-Benzyl Adenosine-5'-Diphosphate has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N6-Benzyl Adenosine-5'-Diphosphate?
The CAS number of N6-Benzyl Adenosine-5'-Diphosphate is 40811-89-0.
What is the molecular formula of N6-Benzyl Adenosine-5'-Diphosphate?
The molecular formula of N6-Benzyl Adenosine-5'-Diphosphate is C17H21N5O10P2.
What is the molecular weight of N6-Benzyl Adenosine-5'-Diphosphate?
The molecular weight of N6-Benzyl Adenosine-5'-Diphosphate is 517.08 g/mol.
Where can I buy N6-Benzyl Adenosine-5'-Diphosphate?
You can request a quote for N6-Benzyl Adenosine-5'-Diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N6-Benzyl Adenosine-5'-Diphosphate?
Yes, KEHONG BIO provides custom synthesis services for N6-Benzyl Adenosine-5'-Diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.