Epsilon(Ap4A)
TL;DR: Epsilon(Ap4A) (CAS 96920-51-3) is a chemical compound with molecular formula C24H28N10O19P4 and molecular weight 884.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Epsilon(Ap4A), KST-1A0087, Di(1,N(6)-ethenoadenosine)-5',5'''-P(1),P(4)-tetraphosphate, [[[[(2r,3s,4r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl][(2r,3s,4r)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl hydrogen phosphate, [[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
| Molecular Formula | C24H28N10O19P4 |
|---|---|
| Molecular Weight | 884.05 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 391.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 14 |
| Exact Mass | 884.0483 |
| Heavy Atoms | 57 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 96920-51-3 |
|---|---|
| SMILES | C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H](C(O5)N6C=NC7=C6N=CN8C7=NC=C8)O)O)O)O |
| InChIKey | JTINNCIJJZFDBZ-KTIBCICDSA-N |
Product Overview
Epsilon(Ap4A) (CAS 96920-51-3), with molecular formula C24H28N10O19P4 and molecular weight 884.05 g/mol. IUPAC: [[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of Epsilon(Ap4A)
Property Insights of Epsilon(Ap4A)
The XLogP value of -5.8 indicates that Epsilon(Ap4A) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 391.0 Ų indicates high polarity, suggesting Epsilon(Ap4A) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epsilon(Ap4A) has 8 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epsilon(Ap4A)?
The CAS number of Epsilon(Ap4A) is 96920-51-3.
What is the molecular formula of Epsilon(Ap4A)?
The molecular formula of Epsilon(Ap4A) is C24H28N10O19P4.
What is the molecular weight of Epsilon(Ap4A)?
The molecular weight of Epsilon(Ap4A) is 884.05 g/mol.
Where can I buy Epsilon(Ap4A)?
You can request a quote for Epsilon(Ap4A) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epsilon(Ap4A)?
Yes, KEHONG BIO provides custom synthesis services for Epsilon(Ap4A) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.