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

HCID 22446299
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Basic information

Standard SMILES
CCOP(=O)(CCCCCn1c(=O)c2[nH]cnc2n(C)c1=O)OCC
InChIKey
KKCHJSLNCHIFNI-UHFFFAOYSA-N
Molecular formula
C15H25N4O5P
Average molar mass
372.36 g/mol

Names & identifiers

Preferred name
Diethyl [5-(3-methyl-xanthin-1-yl)pentyl]phosphonate
IUPAC
1-(5-diethoxyphosphorylpentyl)-3-methyl-7H-purine-2,6-dione

Names & synonyms

SCHEMBL7465188KKCHJSLNCHIFNI-UHFFFAOYSA-Ndiethyl [5-(3-methyl-xanthin-1-yl)pentyl]phosphonate

Database identifiers

PubChem CID
22446299

Properties

Computed structural properties

XLogP
1
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
25

Related reactions

4 records
New reaction record

Linked notes

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