7-Deaza-ddATP
TL;DR: 7-Deaza-ddATP (CAS 117560-92-6) is a chemical compound with molecular formula C11H17N4O11P3 and molecular weight 474.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 7-Deaza-ddATP, 7-Deaza-2',3'-dideoxy-5'-triphosphateadenosine, Triphosphoric acid, P-((5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-, [[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, [[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C11H17N4O11P3 |
|---|---|
| Molecular Weight | 474.01 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.01068 |
| Heavy Atoms | 29 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 117560-92-6 |
|---|---|
| SMILES | C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC3=C(N=CN=C32)N |
| InChIKey | OJEBBDUVAVGFLX-IONNQARKSA-N |
Product Overview
7-Deaza-ddATP (CAS 117560-92-6), with molecular formula C11H17N4O11P3 and molecular weight 474.01 g/mol. IUPAC: [[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 7-Deaza-ddATP
Property Insights of 7-Deaza-ddATP
The XLogP value of -3.2 indicates that 7-Deaza-ddATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting 7-Deaza-ddATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Deaza-ddATP has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Deaza-ddATP?
The CAS number of 7-Deaza-ddATP is 117560-92-6.
What is the molecular formula of 7-Deaza-ddATP?
The molecular formula of 7-Deaza-ddATP is C11H17N4O11P3.
What is the molecular weight of 7-Deaza-ddATP?
The molecular weight of 7-Deaza-ddATP is 474.01 g/mol.
Where can I buy 7-Deaza-ddATP?
You can request a quote for 7-Deaza-ddATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deaza-ddATP?
Yes, KEHONG BIO provides custom synthesis services for 7-Deaza-ddATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.