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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22446299Generated: October 23, 2026

Diethyl [5-(3-methyl-xanthin-1-yl)pentyl]phosphonate

https://huagongshe.com/en/chemical/22446299

Diethyl [5-(3-methyl-xanthin-1-yl)pentyl]phosphonate molecular structure

Identifiers & Physical Properties

Molecular formulaC15H25N4O5P
Average molar mass372.36 g/mol
SMILESCCOP(=O)(CCCCCn1c(=O)c2[nH]cnc2n(C)c1=O)OCC
InChIKeyKKCHJSLNCHIFNI-UHFFFAOYSA-N
PubChem CID22446299

Chemical & Physical Properties

XLogP1
Topological polar surface area105
Hydrogen bond donors1
Hydrogen bond acceptors6
Rotatable bonds10
Heavy atoms25
Formal charge0
Complexity522