P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate
TL;DR: P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate (CAS 83385-99-3) is a chemical compound with molecular formula C20H24N8O13P2S2 and molecular weight 710.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy]-3-hydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: Bis(mprp), P(1),P(2)-Bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate, [(2R,3R,4R,5R)-4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy]-3-hydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate, Inosine 5'-(trihydrogen diphosphate), 6-thio-, 5'-5'-ester with 6-thioinosine, RefChem:169226
| Molecular Formula | C20H24N8O13P2S2 |
|---|---|
| Molecular Weight | 710.04 g/mol |
| LogP | -0.51962 |
| Topological Polar Surface Area | 294.67 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 710.03796 |
| Heavy Atoms | 45 |
| Complexity | 1931.0928 |
Chemical Identifiers
| CAS Number | 83385-99-3 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C5NC=NC6=S)COP(=O)(O)OP(=O)(O)O)O)O)O |
Product Overview
P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate (CAS 83385-99-3), with molecular formula C20H24N8O13P2S2 and molecular weight 710.04 g/mol. IUPAC: [(2R,3R,4R,5R)-4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy]-3-hydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate
Property Insights of P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate
The XLogP value of -0.51962 indicates that P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.67 Ų indicates high polarity, suggesting P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate has 8 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 P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate?
The CAS number of P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate is 83385-99-3.
What is the molecular formula of P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate?
The molecular formula of P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate is C20H24N8O13P2S2.
What is the molecular weight of P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate?
The molecular weight of P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate is 710.04 g/mol.
Where can I buy P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate?
You can request a quote for P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate?
Yes, KEHONG BIO provides custom synthesis services for P(1),P(2)-bis(6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.