2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol
Basic information
- CAS
55094-94-5- Standard SMILES
CCSC(C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)n1cnc2c(=S)nc[nH]c21- InChIKey
WHXVJAUADCEEAT-UHFFFAOYSA-N- Molecular formula
- C20H26N4O8S2
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.11920615
Names & identifiers
- Preferred name
- 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol
- IUPAC
- [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] acetate
Names & synonyms
55094-94-5NSC331780DTXSID90970460NSC-3317802,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol(1R)-2,4,5-Tetra-O-acetyl-1-deoxy-1-S-ethyl-1-(purin-9-yl-6(1H)-thione)-1-thioaldehydo-D-arabinose aldehydrol7230-42-4D-Arabinitol,6-dihydro-6-thioxo-9H-purin-9-yl)-1-S-ethyl-1-thio-, 2,3,4,5-tetraacetate, (R)-
Database identifiers
- CAS
55094-94-5- PubChem CID
- 3975442
- DTXSID
DTXSID90970460
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 826
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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