2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

CAS: 58976-18-4

Molecular Formula	`C14H20N6O5S`
Molecular Weight	384.41 g/mol
LogP	-3.5
Topological Polar Surface Area	208.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	384.12158
Heavy Atoms	26
Complexity	504.0

Chemical Identifiers

CAS Number	58976-18-4
SMILES	`C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N`
InChIKey	`ZJUKTBDSGOFHSH-ZRURSIFKSA-N`

📖 Product Overview

2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid (CAS: 58976-18-4) is a chemical compound with molecular formula C14H20N6O5S and molecular weight 384.41 g/mol. Its IUPAC systematic name is 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid. LogP -3.5 Topological Polar Surface Area 208.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 11 Rotatable Bonds 7 Exact Mass 384.12158 Heavy Atoms 26 Complexity 504.0 InChI Key: ZJUKTBDSGOFHSH-ZRURSIFKSA-N. SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N.

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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

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

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid.

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