Inosine 5'-(trihydrogen diphosphate), 6-thio-
TL;DR: Inosine 5'-(trihydrogen diphosphate), 6-thio- (CAS 805-63-0) is a chemical compound with molecular formula C10H14N4O10P2S and molecular weight 443.99 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]methyl phosphono hydrogen phosphate
Also Known As: 6-Mercaptopurine ribonucleoside 5'-diphosphate, 6-Mpr 5'-DP, 6-thioinosine diphosphate, 6-Thioinosine-5'-diphosphate, 6-Thio-inosine-5'-diphosphate
| Molecular Formula | C10H14N4O10P2S |
|---|---|
| Molecular Weight | 443.99 g/mol |
| LogP | -0.66561 |
| Topological Polar Surface Area | 209.48 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.9906 |
| Heavy Atoms | 27 |
| Complexity | 989.7622 |
Chemical Identifiers
| CAS Number | 805-63-0 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O |
Product Overview
Inosine 5'-(trihydrogen diphosphate), 6-thio- (CAS 805-63-0), with molecular formula C10H14N4O10P2S and molecular weight 443.99 g/mol. IUPAC: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of Inosine 5'-(trihydrogen diphosphate), 6-thio-
Property Insights of Inosine 5'-(trihydrogen diphosphate), 6-thio-
The XLogP value of -0.66561 indicates that Inosine 5'-(trihydrogen diphosphate), 6-thio- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.48 Ų indicates high polarity, suggesting Inosine 5'-(trihydrogen diphosphate), 6-thio- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inosine 5'-(trihydrogen diphosphate), 6-thio- has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Inosine 5'-(trihydrogen diphosphate), 6-thio-?
The CAS number of Inosine 5'-(trihydrogen diphosphate), 6-thio- is 805-63-0.
What is the molecular formula of Inosine 5'-(trihydrogen diphosphate), 6-thio-?
The molecular formula of Inosine 5'-(trihydrogen diphosphate), 6-thio- is C10H14N4O10P2S.
What is the molecular weight of Inosine 5'-(trihydrogen diphosphate), 6-thio-?
The molecular weight of Inosine 5'-(trihydrogen diphosphate), 6-thio- is 443.99 g/mol.
Where can I buy Inosine 5'-(trihydrogen diphosphate), 6-thio-?
You can request a quote for Inosine 5'-(trihydrogen diphosphate), 6-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inosine 5'-(trihydrogen diphosphate), 6-thio-?
Yes, KEHONG BIO provides custom synthesis services for Inosine 5'-(trihydrogen diphosphate), 6-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.