Xanthosine, 2a(2),3a(2)-O-(1-methylethylidene)-6-S-(4-methylphenyl)-6-thio-
Basic information
- CAS
135041-25-7- Standard SMILES
Cc1ccc(Sc2nc(=O)[nH]c3c2ncn3[C@@H]2O[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)cc1- InChIKey
PYMGHVLSNSAKDS-SCFUHWHPSA-N- Molecular formula
- C20H22N4O5S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.13109099
Names & identifiers
- Preferred name
- Xanthosine, 2a(2),3a(2)-O-(1-methylethylidene)-6-S-(4-methylphenyl)-6-thio-
- IUPAC
- 9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(4-methylphenyl)sulfanyl-3H-purin-2-one
Names & synonyms
DTXSID001157840135041-25-7Xanthosine, 2a(2),3a(2)-O-(1-methylethylidene)-6-S-(4-methylphenyl)-6-thio-9-[2,3-O-(1-Methylethylidene)-beta-D-ribofuranosyl]-6-[(4-methylphenyl)sulfanyl]-3,9-dihydro-2H-purin-2-one
Database identifiers
- CAS
135041-25-7- PubChem CID
- 15693166
- DTXSID
DTXSID001157840
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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