N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine
Basic information
- CAS
26190-61-4- Standard SMILES
CSc1nc(NC/C=C(\C)CO)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1- InChIKey
QEWSGVMSLPHELX-LECLTHIMSA-N- Molecular formula
- C16H23N5O5S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.14199002
Overview
RN given refers to cpd without isomeric designation 8/2/83
Names & identifiers
- Preferred name
- N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
- English name
- N(6)-(4-hydroxyisopentenyl)-2-methylthioadenosine
- Molecular formula
- C16H23N5O5S
- Molecular weight
- 397.45
Names & synonyms
2-Methylthioribosylzeatin2-Methylthiozeatin riboside26190-61-4N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosineDTXSID5010177782-Methylthio-N(6)-(4-hydroxyisopentenyl)adenosineRefChem:160745DTXCID801475959(2R,3R,4S,5R)-2-(6-(((E)-4-Hydroxy-3-methylbut-2-en-1-yl)amino)-2-(methylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol2-Methylthio-cis-ribozeatin(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol2-methylthio-trans-zeatin roboside
Show more names
N-(4-Hydroxy-3-methyl-2-butenyl)-2-(methylthio)adenosineAdenosine,N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)- (8CI,9CI)
Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-N-[(2E)-4-Hydroxy-3-methylbut-2-en-1-yl]-2-(methylsulfanyl)adenosine
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
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Related reactions
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Compound notes
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