[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate

CAS: 6698-29-9

Molecular Formula	`C17H19N5O5S`
Molecular Weight	405.4 g/mol
LogP	0.9
Topological Polar Surface Area	151.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	405.1107
Heavy Atoms	28
Complexity	638.0

Chemical Identifiers

CAS Number	6698-29-9
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CC(O2)N3C=NC4=C(N=CN=C43)N)O`
InChIKey	`JBDNXJYWAILXSS-UHFFFAOYSA-N`

📖 Product Overview

[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate (CAS: 6698-29-9) is a chemical compound with molecular formula C17H19N5O5S and molecular weight 405.4 g/mol. Its IUPAC systematic name is [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate. LogP 0.9 Topological Polar Surface Area 151.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 405.1107 Heavy Atoms 28 Complexity 638.0 InChI Key: JBDNXJYWAILXSS-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CC(O2)N3C=NC4=C(N=CN=C43)N)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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