Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-
TL;DR: Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- (CAS 84296-31-1) is a chemical compound with molecular formula C11H18N5O12P3 and molecular weight 505.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy-[[(2R,3S)-3-hydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Also Known As: Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-, [hydroxy-[[(2R,3S)-3-hydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate, 9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-erythro-pentofuranosyl]-1-methyl-1,9-dihydro-6H-purin-6-imine, 9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1-methyl-1,9-dihydro-6H-purin-6-imine
| Molecular Formula | C11H18N5O12P3 |
|---|---|
| Molecular Weight | 505.02 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.01648 |
| Heavy Atoms | 31 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 84296-31-1 |
|---|---|
| SMILES | CN1C=NC2=C(C1=N)N=CN2C3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | IHCUIOJGPHXEOP-KJFJCRTCSA-N |
Product Overview
Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- (CAS 84296-31-1), with molecular formula C11H18N5O12P3 and molecular weight 505.02 g/mol. IUPAC: [hydroxy-[[(2R,3S)-3-hydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-
Property Insights of Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-
The XLogP value of -4.7 indicates that Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-?
The CAS number of Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- is 84296-31-1.
What is the molecular formula of Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-?
The molecular formula of Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- is C11H18N5O12P3.
What is the molecular weight of Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-?
The molecular weight of Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- is 505.02 g/mol.
Where can I buy Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-?
You can request a quote for Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Adenosine 5'-(tetrahydrogen triphosphate), N,6-didehydro-2'-deoxy-1,6-dihydro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.