2-((3-Aminopropyl)thio)adenosine 5'-diphosphate
TL;DR: 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate (CAS 1203-36-7) is a chemical compound with molecular formula C13H22N6O10P2S and molecular weight 516.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-[6-amino-2-(3-aminopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: 2-Apta-ADP, 2-((3-Aminopropyl)thio)adenosine-ADP, 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate, 2-[(3-aminopropyl)sulfanyl]adenosine diphosphate, 2-<(3-aminopropyl)thio>-adenosine 5'-diphosphate
| Molecular Formula | C13H22N6O10P2S |
|---|---|
| Molecular Weight | 516.06 g/mol |
| LogP | -6.6 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.0593 |
| Heavy Atoms | 32 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 1203-36-7 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)SCCCN)N |
| InChIKey | GESRDRIVMAOVGE-WOUKDFQISA-N |
Product Overview
2-((3-Aminopropyl)thio)adenosine 5'-diphosphate (CAS 1203-36-7), with molecular formula C13H22N6O10P2S and molecular weight 516.06 g/mol. IUPAC: [(2R,3S,4R,5R)-5-[6-amino-2-(3-aminopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate
Property Insights of 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate
The XLogP value of -6.6 indicates that 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 284.0 Ų indicates high polarity, suggesting 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate?
The CAS number of 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate is 1203-36-7.
What is the molecular formula of 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate?
The molecular formula of 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate is C13H22N6O10P2S.
What is the molecular weight of 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate?
The molecular weight of 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate is 516.06 g/mol.
Where can I buy 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate?
You can request a quote for 2-((3-Aminopropyl)thio)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 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Aminopropyl)thio)adenosine 5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.