Ethenoadenylyl imidodiphosphate
TL;DR: Ethenoadenylyl imidodiphosphate (CAS 78368-53-3) is a chemical compound with molecular formula C12H17N6O12P3 and molecular weight 530.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid
Also Known As: Epsilon-amppnp, Ethenoadenylyl imidodiphosphate, 1,N6-Etheno-AppNHp, 1,N(6)-Etheno-imido ATP, ethenoadenylylimidodiphosphate
| Molecular Formula | C12H17N6O12P3 |
|---|---|
| Molecular Weight | 530.01 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.0117 |
| Heavy Atoms | 33 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 78368-53-3 |
|---|---|
| SMILES | C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O |
| InChIKey | RQUIQSICXGYQBT-WOUKDFQISA-N |
Product Overview
Ethenoadenylyl imidodiphosphate (CAS 78368-53-3), with molecular formula C12H17N6O12P3 and molecular weight 530.01 g/mol. IUPAC: [[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid.
Chemical Property Profile of Ethenoadenylyl imidodiphosphate
Property Insights of Ethenoadenylyl imidodiphosphate
The XLogP value of -4.8 indicates that Ethenoadenylyl imidodiphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting Ethenoadenylyl imidodiphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethenoadenylyl imidodiphosphate 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 Ethenoadenylyl imidodiphosphate?
The CAS number of Ethenoadenylyl imidodiphosphate is 78368-53-3.
What is the molecular formula of Ethenoadenylyl imidodiphosphate?
The molecular formula of Ethenoadenylyl imidodiphosphate is C12H17N6O12P3.
What is the molecular weight of Ethenoadenylyl imidodiphosphate?
The molecular weight of Ethenoadenylyl imidodiphosphate is 530.01 g/mol.
Where can I buy Ethenoadenylyl imidodiphosphate?
You can request a quote for Ethenoadenylyl imidodiphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethenoadenylyl imidodiphosphate?
Yes, KEHONG BIO provides custom synthesis services for Ethenoadenylyl imidodiphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.