2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate

CAS: 17176-17-9

Molecular Formula	`C15H22N6O5S`
Molecular Weight	398.4 g/mol
LogP	-2.8
Topological Polar Surface Area	186.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	398.13724
Heavy Atoms	27
Complexity	527.0

Chemical Identifiers

CAS Number	17176-17-9
SMILES	`C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O`
InChIKey	`MEFKEPWMEQBLKI-UHFFFAOYSA-N`

📖 Product Overview

2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate (CAS: 17176-17-9) is a chemical compound with molecular formula C15H22N6O5S and molecular weight 398.4 g/mol. Its IUPAC systematic name is 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate. LogP -2.8 Topological Polar Surface Area 186.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 6 Exact Mass 398.13724 Heavy Atoms 27 Complexity 527.0 InChI Key: MEFKEPWMEQBLKI-UHFFFAOYSA-N. SMILES: C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

What is the typical lead time for this product?

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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📚 Academic Support

Scientific research papers and technical documentation supporting this product for informed procurement decisions.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate.

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