9-(c-4,t-5-Bis(hydroxymethyl)cyclopent-2-en-r-1-yl)-9H-adenine
Basic information
- CAS
140440-40-0- Standard SMILES
Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)[C@H]1CO- InChIKey
ZGCLIXGLQFSZRB-YIZRAAEISA-N- Molecular formula
- C12H15N5O2
- Average molar mass
- 261.28 g/mol
- Monoisotopic mass
- 261.12257474
Overview
structure given in first source; exhibits anti-HIV activity comparable to that of carbovir
Names & identifiers
- Preferred name
- 9-(c-4,t-5-Bis(hydroxymethyl)cyclopent-2-en-r-1-yl)-9H-adenine
- IUPAC
- [(1R,4S,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
Names & synonyms
Bohme-cp-adenine140440-40-09-(c-4,t-5-Bis(hydroxymethyl)cyclopent-2-en-r-1-yl)-9H-adenineRefChem:107699[(1r,2r,5s)-5-(6-amino-9h-purin-9-yl)cyclopent-3-ene-1,2-diyl]dimethanolDTXSID10930824[5-(6-Amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diyl]dimethanol3-Cyclopentene-1,2-dimethanol, 5-(6-amino-9H-purin-9-yl)-, (1alpha,2beta,5beta)-(+-)-
Database identifiers
- CAS
140440-40-0- PubChem CID
- 72372
- DTXSID
DTXSID10930824
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
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Related reactions
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Compound notes
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