9-(1,3-Di-n-hexadecanoyloxy-2-propoxymethyl)guanine

HCID 136332156
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OCn1cnc2c(=O)[nH]c(N)nc21
InChIKey
MNOWAMSYLDJFFI-UHFFFAOYSA-N
Molecular formula
C41H73N5O6
Average molar mass
732 g/mol
Monoisotopic mass
731.55608507

Names & identifiers

Preferred name
9-(1,3-Di-n-hexadecanoyloxy-2-propoxymethyl)guanine
IUPAC
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hexadecanoyloxypropyl] hexadecanoate

Names & synonyms

SCHEMBL9583116MNOWAMSYLDJFFI-UHFFFAOYSA-N9-(1,3-di-n-hexadecanoyloxy-2-propoxymethyl)guanine

Database identifiers

PubChem CID
136332156

Properties

Computed structural properties

XLogP
13.3
Topological polar surface area
147 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
37
Heavy atoms
52

Related reactions

3 records
New reaction record

Linked notes

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