Basic information
- CAS
63248-75-9- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COC(=O)C23CC4CC(CC(C4)C2)C3)C(O)C1O- InChIKey
AWFSVJLIDJUYAL-UHFFFAOYSA-N- Molecular formula
- C21H27N5O5
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.20121898
Names & identifiers
- Preferred name
- 9-[5-o-(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)pentofuranosyl]-9h-purin-6-amine
- IUPAC
- [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate
Names & synonyms
63248-75-99-[5-o-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)pentofuranosyl]-9h-purin-6-amineNSC107177DTXSID20296029NSC-1071779-[5-O-(Tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)pentofuranosyl]-9H-purin-6-amine
Database identifiers
- CAS
63248-75-9- PubChem CID
- 267643
- DTXSID
DTXSID20296029
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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