10,13,16,19,22,25,30,31-Octaoxa-3-thiatricyclo(25.2.1.1(sup 5,8))hentriaconta-5,7,24,26-tetraene-9,26-dione
Basic information
- CAS
71349-37-6- Standard SMILES
O=C1OCCOCCOCCOCCOCCOC(=O)c2ccc(o2)CSCc2ccc1o2- InChIKey
WHCOSNKTTKGWPF-UHFFFAOYSA-N- Molecular formula
- C22H28O10S
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.14031826
Names & identifiers
- Preferred name
- 10,13,16,19,22,25,30,31-Octaoxa-3-thiatricyclo(25.2.1.1(sup 5,8))hentriaconta-5,7,24,26-tetraene-9,26-dione
- IUPAC
- 10,13,16,19,22,25,30,31-octaoxa-3-thiatricyclo[25.2.1.15,8]hentriaconta-1(29),5,7,27-tetraene-9,26-dione
- English name
- 10,13,16,19,22,25,30,31-Octaoxa-3-thiatricyclo[25.2.1.15,8]hentriaconta-5,7,27,29(1)-tetrene-9,26-dione
- Molecular formula
- C22H28O10S
- Molecular weight
- 484.51672
Names & synonyms
10,13,16,19,22,25,30,31-Octaoxa-3-thiatricyclo(25.2.1.1(sup 5,8))hentriaconta-5,7,24,26-tetraene-9,26-dione71349-37-6BRN 1672813DTXSID102215477,10,13,16,19,22-Hexaoxa-3-thia-1,5(2,5)-difuranacyclotricosaphane-6,23-dione10,13,16,19,22,25,30,31-Octaoxa-3-thiatricyclo[25.2.1.15,8]hentriaconta-5,7,27,29(1)-tetrene-9,26-dione
Database identifiers
- CAS
71349-37-6- PubChem CID
- 153305
- DTXSID
DTXSID10221547- Nikkaji
- J65.657G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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