Basic information
- CAS
88801-89-2- Standard SMILES
CSc1nc(N)nc2c1ncn2C1CC(CO)C(O)C1O- InChIKey
RLDCBGMVZWEUGD-UHFFFAOYSA-N- Molecular formula
- C12H17N5O3S
- Average molar mass
- 311.36 g/mol
- Monoisotopic mass
- 311.10521059
Names & identifiers
- Preferred name
- 3-(2-Amino-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
- IUPAC
- 3-(2-amino-6-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Names & synonyms
88801-89-2NSC266513CHEMBL350490SCHEMBL10679264DTXSID201008457NSC-266513DS-0045103-(2-Amino-6-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol3-(Hydroxymethyl)-5-[2-imino-6-(methylsulfanyl)-2,3-dihydro-9H-purin-9-yl]cyclopentane-1,2-diol
Database identifiers
- CAS
88801-89-2- PubChem CID
- 320189
- DTXSID
DTXSID201008457- ChEMBL
CHEMBL350490
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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