Diethyl [5-(7-butyl-3-methylxanthin-1-yl)pentyl]phosphonate

HCID 22446285
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Basic information

Standard SMILES
CCCCn1cnc2c1c(=O)n(CCCCCP(=O)(OCC)OCC)c(=O)n2C
InChIKey
CEYCRFWKOOSYLF-UHFFFAOYSA-N
Molecular formula
C19H33N4O5P
Average molar mass
428.5 g/mol

Names & identifiers

Preferred name
Diethyl [5-(7-butyl-3-methylxanthin-1-yl)pentyl]phosphonate
IUPAC
7-butyl-1-(5-diethoxyphosphorylpentyl)-3-methylpurine-2,6-dione

Names & synonyms

SCHEMBL7465863CEYCRFWKOOSYLF-UHFFFAOYSA-NDiethyl [5-(7-butyl-3-methylxanthin-1-yl)pentyl]phosphonate

Database identifiers

PubChem CID
22446285

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
94 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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