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6-Chloro-9-[4-di(propan-2-yloxy)phosphorylbut-3-enyl]purine

HCID 53680313
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)OP(=O)(C=CCCn1cnc2c(Cl)ncnc21)OC(C)C
InChIKey
BGDPSSRJIATNKS-UHFFFAOYSA-N
Molecular formula
C15H22ClN4O3P
Average molar mass
372.79 g/mol
Monoisotopic mass
372.1118053

Names & identifiers

Preferred name
6-Chloro-9-[4-di(propan-2-yloxy)phosphorylbut-3-enyl]purine
IUPAC
6-chloro-9-[4-di(propan-2-yloxy)phosphorylbut-3-enyl]purine

Names & synonyms

SCHEMBL9295420

Database identifiers

PubChem CID
53680313

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
79.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
24
Formal charge
0
Complexity
464

Related reactions

1 records
New reaction record
HRID 133905 reaction equation
HRID 133905As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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