9-(4-(Benzyloxy)-3-((benzyloxy)methyl)butyl)-9H-purin-6-amine
Basic information
- CAS
33498-84-9- Standard SMILES
Nc1ncnc2c1ncn2CCC(COCc1ccccc1)COCc1ccccc1- InChIKey
TUCQLWFNJGRJQK-UHFFFAOYSA-N- Molecular formula
- C24H27N5O2
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.21647512
Names & identifiers
- Preferred name
- 9-(4-(Benzyloxy)-3-((benzyloxy)methyl)butyl)-9H-purin-6-amine
- IUPAC
- 9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]purin-6-amine
- English name
- 9-[4-(Benzyloxy)-3-[(benzyloxy)methyl]butyl]-9H-purin-6-amine
- Molecular weight
- 0
Names & synonyms
33498-84-99-(4-(Benzyloxy)-3-((benzyloxy)methyl)butyl)-9H-purin-6-amine9-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}-9h-purin-6-amineAdenine, 9-[4-(benzyloxy)-3-[(benzyloxy)methyl]butyl]-9-[4-(Benzyloxy)-3-[(benzyloxy)methyl]butyl]-9H-purin-6-amine9H-Purin-6-amine, 9-[4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]butyl]-NSC151838DTXSID20302553TUCQLWFNJGRJQK-UHFFFAOYSA-NNSC-1518386-Amino-9-4'-benzyloxy-3'-benzyloxymethylbutylpurine9-(4-(Benzyloxy)-3-[(benzyloxy)methyl]butyl)-9H-purin-6-amine #
Database identifiers
- CAS
33498-84-9- PubChem CID
- 289653
- DTXSID
DTXSID20302553- Nikkaji
- J143.087D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 474
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Compound notes
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