Benzyl 3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]cyclobutyl]propanoate

HCID 77353095

Basic information

Standard SMILES
CC1(C)OC2C(CNC3CC(CCC(=O)OCc4ccccc4)C3)OC(n3cnc4c(N)ncnc43)C2O1
InChIKey
HPEGFHQWCJDFPK-UHFFFAOYSA-N
Molecular formula
C27H34N6O5
Average molar mass
522.6 g/mol

Names & identifiers

Preferred name
Benzyl 3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]cyclobutyl]propanoate
IUPAC
benzyl 3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]cyclobutyl]propanoate

Database identifiers

PubChem CID
77353095

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
136 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
38

Related reactions

6 records

Compound notes

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