[3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate
Basic information
- CAS
6741-90-8- Standard SMILES
O=C(OCC1OC(n2cnc3c(=S)nc[nH]c32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
HCXWEAGLVGVNCO-UHFFFAOYSA-N- Molecular formula
- C31H24N4O7S
- Average molar mass
- 596.6 g/mol
- Monoisotopic mass
- 596.13657029
Names & identifiers
- Preferred name
- [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate
- IUPAC
- [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
6741-90-8[3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoateNSC28416DTXSID20392434NSC-28416AKOS037626146SR-01000518975SR-01000518975-19-(2,3,5-tri-O-benzoylpentofuranosyl)-9H-purine-6-thiol9-(2,3,5-Tri-O-benzoylpentofuranosyl)-3,9-dihydro-6H-purine-6-thione
Database identifiers
- CAS
6741-90-8- PubChem CID
- 3433334
- DTXSID
DTXSID20392434
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…