Thioinosine 5'-(beta, gamma-methylene)triphosphate
TL;DR: Thioinosine 5'-(beta, gamma-methylene)triphosphate (CAS 81536-59-6) is a chemical compound with molecular formula C11H17N4O12P3S and molecular weight 521.98 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-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-methylphosphinic acid
Also Known As: (Snopp(CH2)P)2, Thioinosine 5'-(beta, gamma-methylene)triphosphate, [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-methylphosphinic acid, 5'-Inosinic acid, 6-thio-, monoanhydride with (phosphonomethyl)phosphonic acid, 9-(5-O-{Hydroxy[(hydroxy{[hydroxy(methyl)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-beta-D-ribofuranosyl)-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C11H17N4O12P3S |
|---|---|
| Molecular Weight | 521.98 g/mol |
| LogP | 0.17389 |
| Topological Polar Surface Area | 235.78 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.97766 |
| Heavy Atoms | 31 |
| Complexity | 1164.1069 |
Chemical Identifiers
| CAS Number | 81536-59-6 |
|---|---|
| SMILES | CP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC=NC3=S)O)O |
Product Overview
Thioinosine 5'-(beta, gamma-methylene)triphosphate (CAS 81536-59-6), with molecular formula C11H17N4O12P3S and molecular weight 521.98 g/mol. IUPAC: [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-methylphosphinic acid.
Chemical Property Profile of Thioinosine 5'-(beta, gamma-methylene)triphosphate
Property Insights of Thioinosine 5'-(beta, gamma-methylene)triphosphate
The XLogP value of 0.17389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioinosine 5'-(beta, gamma-methylene)triphosphate. The TPSA of 235.78 Ų indicates high polarity, suggesting Thioinosine 5'-(beta, gamma-methylene)triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thioinosine 5'-(beta, gamma-methylene)triphosphate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thioinosine 5'-(beta, gamma-methylene)triphosphate?
The CAS number of Thioinosine 5'-(beta, gamma-methylene)triphosphate is 81536-59-6.
What is the molecular formula of Thioinosine 5'-(beta, gamma-methylene)triphosphate?
The molecular formula of Thioinosine 5'-(beta, gamma-methylene)triphosphate is C11H17N4O12P3S.
What is the molecular weight of Thioinosine 5'-(beta, gamma-methylene)triphosphate?
The molecular weight of Thioinosine 5'-(beta, gamma-methylene)triphosphate is 521.98 g/mol.
Where can I buy Thioinosine 5'-(beta, gamma-methylene)triphosphate?
You can request a quote for Thioinosine 5'-(beta, gamma-methylene)triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioinosine 5'-(beta, gamma-methylene)triphosphate?
Yes, KEHONG BIO provides custom synthesis services for Thioinosine 5'-(beta, gamma-methylene)triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.