腺苷5'-O-硫代磷酸O-甲酯
TL;DR: 腺苷5'-O-硫代磷酸O-甲酯 (CAS 107133-74-4) is a chemical compound with molecular formula C11H16N5O6PS and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
腺苷5'-O-硫代磷酸O-甲酯
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
Also Known As: APTME, Adenosine 5'-O-phosphorothioate O-methyl ester, (2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol, 9-{5-O-[Hydroxy(methoxy)phosphorothioyl]pentofuranosyl}-9H-purin-6-amine, 9-{5-O-[Hydroxy(methoxy)phosphorothioyl]-alpha-D-ribofuranosyl}-9H-purin-6-amine
| Molecular Formula | C11H16N5O6PS |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.05588 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 107133-74-4 |
|---|---|
| SMILES | COP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | DWZSOXPWUCNSSW-ZAKKHMFKSA-N |
Product Overview
腺苷5'-O-硫代磷酸O-甲酯 (CAS 107133-74-4), with molecular formula C11H16N5O6PS and molecular weight 377.06 g/mol. IUPAC: (2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol.
Chemical Property Profile of 腺苷5'-O-硫代磷酸O-甲酯
Property Insights of 腺苷5'-O-硫代磷酸O-甲酯
The XLogP value of -1.3 indicates that 腺苷5'-O-硫代磷酸O-甲酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting 腺苷5'-O-硫代磷酸O-甲酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 腺苷5'-O-硫代磷酸O-甲酯 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 腺苷5'-O-硫代磷酸O-甲酯?
The CAS number of 腺苷5'-O-硫代磷酸O-甲酯 is 107133-74-4.
What is the molecular formula of 腺苷5'-O-硫代磷酸O-甲酯?
The molecular formula of 腺苷5'-O-硫代磷酸O-甲酯 is C11H16N5O6PS.
What is the molecular weight of 腺苷5'-O-硫代磷酸O-甲酯?
The molecular weight of 腺苷5'-O-硫代磷酸O-甲酯 is 377.06 g/mol.
Where can I buy 腺苷5'-O-硫代磷酸O-甲酯?
You can request a quote for 腺苷5'-O-硫代磷酸O-甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 腺苷5'-O-硫代磷酸O-甲酯?
Yes, KEHONG BIO provides custom synthesis services for 腺苷5'-O-硫代磷酸O-甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.