Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester
Basic information
- CAS
67189-82-6- Standard SMILES
N#CSc1ccc2c(ccn2C2OCC(O)C(O)C2O)c1- InChIKey
JVEUNJBUPMFQGE-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.06742811
Names & identifiers
- Preferred name
- Thiocyanic acid, 1-alpha-L-arabinopyranosyl-1H-indol-5-yl ester
- IUPAC
- [1-(3,4,5-trihydroxyoxan-2-yl)indol-5-yl] thiocyanate
Names & synonyms
Thiocyanic acid, 1-.alpha.-L-arabinopyranosyl-1H-indol-5-yl ester67189-82-6NSC264322DTXSID10312929NSC-2643221-Pentopyranosyl-5-(thiocyanato)-1H-indole
Database identifiers
- CAS
67189-82-6- PubChem CID
- 319660
- DTXSID
DTXSID10312929
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…