S-(6-Purinyl)-N-acetylcysteine
Basic information
- CAS
136039-99-1- Standard SMILES
CC(=O)N[C@@H](CSc1ncnc2nc[nH]c12)C(=O)O- InChIKey
JNURDKXJPBZZGO-LURJTMIESA-N- Molecular formula
- C10H11N5O3S
- Average molar mass
- 281.29 g/mol
- Monoisotopic mass
- 281.0582604
Overview
metabolites in kidney higher than in liver or plasma; structure given in first source
Names & identifiers
- Preferred name
- S-(6-Purinyl)-N-acetylcysteine
- IUPAC
- (2R)-2-acetamido-3-(7H-purin-6-ylsulfanyl)propanoic acid
- English name
- S-(6-purinyl)-N-acetylcysteine
- Molecular formula
- C10H11N5O3S
- Molecular weight
- 281.29
Names & synonyms
136039-99-1S-NapcS-(6-Purinyl)-N-acetylcysteineRefChem:180561(R)-3-((1H-Purin-6-yl)thio)-2-acetamidopropanoic acidN-Acetyl-S-1H-purin-6-yl-L-cysteineL-Cysteine, N-acetyl-S-1H-purin-6-yl-SCHEMBL9172544SCHEMBL9172563DTXSID40929241N-(1-Hydroxyethylidene)-S-9H-purin-6-ylcysteineN-(1-Hydroxyethylidene)-S-(9H-purin-6-yl)-L-cysteine
Show more names
L-Cysteine, N-acetyl-S-9H-purin-6-yl-
Database identifiers
- CAS
136039-99-1- PubChem CID
- 148252
- DTXSID
DTXSID40929241- Nikkaji
- J562.304I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 3.31 · 3.31±0.10(Predicted)
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Related reactions
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Compound notes
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