ethyl 3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(isopropyl)amino)cyclobutyl)propanoate

HCID 67775331
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCC1CC(N(C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)C(C)C)C1
InChIKey
CDQHSADZFIYIBR-MKZZAHTDSA-N
Molecular formula
C25H38N6O5
Average molar mass
502.6 g/mol

Names & identifiers

Preferred name
ethyl 3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(isopropyl)amino)cyclobutyl)propanoate
IUPAC
ethyl 3-[3-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-propan-2-ylamino]cyclobutyl]propanoate

Names & synonyms

SCHEMBL9106910SCHEMBL9106917SCHEMBL9913520SCHEMBL30277435CDQHSADZFIYIBR-MKZZAHTDSA-Nethyl 3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(isopropyl)amino)cyclobutyl)propanoate

Database identifiers

PubChem CID
67775331

Properties

Computed structural properties

XLogP
2
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
36

Related reactions

2 records
New reaction record

Linked notes

Loading…