[3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate
Basic information
- CAS
7764-80-9- Standard SMILES
CCCC(=O)OCC1OC(n2cnc3c(=S)nc[nH]c32)C(OC(=O)CCC)C1OC(=O)CCC- InChIKey
BHPPLUZZMFOJAN-UHFFFAOYSA-N- Molecular formula
- C22H30N4O7S
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.18352048
Names & identifiers
- Preferred name
- [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate
- IUPAC
- [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate
Names & synonyms
NSC769527764-80-9DTXSID50398580NSC-769529-(2,3,5-Tri-O-butanoylpentofuranosyl)-3,9-dihydro-6H-purine-6-thione
Database identifiers
- CAS
7764-80-9- PubChem CID
- 4019652
- DTXSID
DTXSID50398580
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 795
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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