9H-purine-6(1H)-thione, 2-amino-9-(2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)-
Basic information
- CAS
88801-85-8- Standard SMILES
Nc1nc(=S)c2ncn(C3CC(CO)C(O)C3O)c2[nH]1- InChIKey
XPULRKNZIDAAQY-UHFFFAOYSA-N- Molecular formula
- C11H15N5O3S
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.08956053
Names & identifiers
- Preferred name
- 9H-purine-6(1H)-thione, 2-amino-9-(2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)-
- IUPAC
- 2-amino-9-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
Names & synonyms
9H-purine-6(1H)-thione, 2-amino-9-(2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)-88801-85-8CHEMBL348397SCHEMBL10675105
Database identifiers
- CAS
88801-85-8- PubChem CID
- 3000764
- ChEMBL
CHEMBL348397
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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