![6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol structure](/static/products/6186/61866-10-2.webp)
6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
TL;DR: 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol (CAS 61866-10-2) is a chemical compound with molecular formula C11H14N5O6PS and molecular weight 375.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Also Known As: 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol, 8-Thiomethyladenosine 3 inverted exclamation marka:5 inverted exclamation marka-cyclic monophosphate, 6-[6-Amino-8-(sulfanylmethyl)-9H-purin-9-yl]-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one, 6-[6-amino-8-(sulfanylmethyl)-9h-purin-9-yl]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
| Molecular Formula | C11H14N5O6PS |
|---|---|
| Molecular Weight | 375.04 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.04025 |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 61866-10-2 |
|---|---|
| SMILES | C1C2C(C(C(O2)N3C(=NC4=C(N=CN=C43)N)CS)O)OP(=O)(O1)O |
| InChIKey | GPUNSPOSQRRPTH-UHFFFAOYSA-N |
Product Overview
6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol (CAS 61866-10-2), with molecular formula C11H14N5O6PS and molecular weight 375.04 g/mol. IUPAC: 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol.
Chemical Property Profile of 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Property Insights of 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
The XLogP value of -2.4 indicates that 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK8A8838 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8A8838?
The CAS number of CTK8A8838 is 61866-10-2.
What is the molecular formula of CTK8A8838?
The molecular formula of CTK8A8838 is C11H14N5O6PS.
What is the molecular weight of CTK8A8838?
The molecular weight of CTK8A8838 is 375.04 g/mol.
Where can I buy CTK8A8838?
You can request a quote for CTK8A8838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8A8838?
Yes, KEHONG BIO provides custom synthesis services for CTK8A8838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.