9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine
Basic information
- CAS
53458-28-9- Standard SMILES
CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O- InChIKey
WUUGFSXJNOTRMR-ICQCTTRCSA-N- Molecular formula
- C11H15N5O3S
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.08956053
Overview
naturally occurring analog of 5'-deoxy-5'-methylthioadenosine; structure given in first source
Names & identifiers
- Preferred name
- 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine
- IUPAC
- (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Names & synonyms
Xylosyl-methylthio-adenosine9-Dmxa53458-28-99-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine9-(5'Deoxy-5'-(methylthio)-beta-D-xylofuranosyl)adenineRefChem:107686(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diolNSC 2088359H-Purin-6-amine, 9-(5-S-methyl-5-thio-beta-D-arabinofuranosyl)-
Database identifiers
- CAS
53458-28-9- PubChem CID
- 99302
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Related reactions
0 records
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Compound notes
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