双(5'-腺苷酰)二磷酸
TL;DR: 双(5'-腺苷酰)二磷酸 (CAS 5542-28-9) is a chemical compound with molecular formula C20H28N10O19P4 and molecular weight 836.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(5'-腺苷酰)二磷酸
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: AppppA, Ap4A, bis(5'-adenylyl) diphosphate, adenosine(5')tetraphospho(5')adenosine, A(5')p4(5')A
| Molecular Formula | C20H28N10O19P4 |
|---|---|
| Molecular Weight | 836.05 g/mol |
| LogP | -8.3 |
| Topological Polar Surface Area | 434.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Exact Mass | 836.0483 |
| Heavy Atoms | 53 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 5542-28-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N |
| InChIKey | YOAHKNVSNCMZGQ-UHFFFAOYSA-N |
Product Overview
双(5'-腺苷酰)二磷酸 (CAS 5542-28-9), with molecular formula C20H28N10O19P4 and molecular weight 836.05 g/mol. IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of 双(5'-腺苷酰)二磷酸
Property Insights of 双(5'-腺苷酰)二磷酸
The XLogP value of -8.3 indicates that 双(5'-腺苷酰)二磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 434.0 Ų indicates high polarity, suggesting 双(5'-腺苷酰)二磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 双(5'-腺苷酰)二磷酸 has 10 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 双(5'-腺苷酰)二磷酸?
The CAS number of 双(5'-腺苷酰)二磷酸 is 5542-28-9.
What is the molecular formula of 双(5'-腺苷酰)二磷酸?
The molecular formula of 双(5'-腺苷酰)二磷酸 is C20H28N10O19P4.
What is the molecular weight of 双(5'-腺苷酰)二磷酸?
The molecular weight of 双(5'-腺苷酰)二磷酸 is 836.05 g/mol.
Where can I buy 双(5'-腺苷酰)二磷酸?
You can request a quote for 双(5'-腺苷酰)二磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(5'-腺苷酰)二磷酸?
Yes, KEHONG BIO provides custom synthesis services for 双(5'-腺苷酰)二磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.