6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol
TL;DR: 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol (CAS 15830-60-1) is a chemical compound with molecular formula C16H19N5O7S and molecular weight 425.10052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,4-diacetyloxy-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol, [3,4-diacetyloxy-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)oxolan-2-yl]methyl acetate
Technical Specifications
| Molecular Formula | C16H19N5O7S |
| Molecular Weight | 425.10052 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 187.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.10052 Da |
| Heavy Atoms | 29 |
| Complexity | 695.0 |
| SMILES | CC(=O)OCC1C(C(C(O1)N2C3=NC=NC(=C3NC2=S)N)OC(=O)C)OC(=O)C |
| InChIKey | CSRUORWUTFSQFB-UHFFFAOYSA-N |
Chemical Property Profile of 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol
Property Insights of 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol
The XLogP value of -0.7 indicates that 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol?
The CAS number of 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol is 15830-60-1.
What is the molecular formula of 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol?
The molecular formula of 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol is C16H19N5O7S.
What is the molecular weight of 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol?
The molecular weight of 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol is 425.10052 g/mol.
Where can I buy 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol?
You can request a quote for 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol?
Yes, CoreyChem provides custom synthesis services for 6-Amino-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine-8-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.