Basic information
- CAS
3150-14-9- Standard SMILES
COC1OC2COC(c3ccccc3)OC2C2SC12- InChIKey
BVHRIAXDMDBVBN-UHFFFAOYSA-N- Molecular formula
- C14H16O4S
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.07693016
Names & identifiers
- Preferred name
- Methyl 2,3-anhydro-4,6-o-benzylidene-2-thiohexopyranoside
- IUPAC
- 5-methoxy-10-phenyl-6,9,11-trioxa-3-thiatricyclo[5.4.0.02,4]undecane
Names & synonyms
3150-14-9methyl 2,3-anhydro-4,6-o-benzylidene-2-thiohexopyranosideNSC44442DTXSID20953488NSC-44442
Database identifiers
- CAS
3150-14-9- PubChem CID
- 239402
- DTXSID
DTXSID20953488
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…