腺苷三磷酸单磷酸酯
TL;DR: 腺苷三磷酸单磷酸酯 (CAS 2645-44-5) is a chemical compound with molecular formula C10H17N5O16P4 and molecular weight 586.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
腺苷三磷酸单磷酸酯
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: pppAp, Adenosine triphosphate monophosphate, Adenosine 5'-Triphosphate, 3'-phosphate, adenosine 3'-(dihydrogen phosphate) 5'-(tetrahydrogen triphosphate), Adenosine 5'-(tetrahydrogen triphosphate), 3'-(dihydrogen phosphate)
| Molecular Formula | C10H17N5O16P4 |
|---|---|
| Molecular Weight | 586.96 g/mol |
| LogP | -6.8 |
| Topological Polar Surface Area | 326.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.9621 |
| Heavy Atoms | 35 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 2645-44-5 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N |
| InChIKey | NHWDZBAVCMQBAP-KQYNXXCUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
腺苷三磷酸单磷酸酯 (CAS 2645-44-5), with molecular formula C10H17N5O16P4 and molecular weight 586.96 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 腺苷三磷酸单磷酸酯
Property Insights of 腺苷三磷酸单磷酸酯
The XLogP value of -6.8 indicates that 腺苷三磷酸单磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 326.0 Ų indicates high polarity, suggesting 腺苷三磷酸单磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 腺苷三磷酸单磷酸酯 has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 腺苷三磷酸单磷酸酯?
The CAS number of 腺苷三磷酸单磷酸酯 is 2645-44-5.
What is the molecular formula of 腺苷三磷酸单磷酸酯?
The molecular formula of 腺苷三磷酸单磷酸酯 is C10H17N5O16P4.
What is the molecular weight of 腺苷三磷酸单磷酸酯?
The molecular weight of 腺苷三磷酸单磷酸酯 is 586.96 g/mol.
Where can I buy 腺苷三磷酸单磷酸酯?
You can request a quote for 腺苷三磷酸单磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 腺苷三磷酸单磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 腺苷三磷酸单磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.