2-[3-(2-Aminoethyl)indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic information
- CAS
53838-90-7- Standard SMILES
NCCc1cn(C2OC(CO)C(O)C(O)C2O)c2ccccc12- InChIKey
NWGCDLQKQYVQCC-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.15287181
Names & identifiers
- Preferred name
- 2-[3-(2-Aminoethyl)indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- 2-[3-(2-aminoethyl)indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
53838-90-72-[3-(2-aminoethyl)indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triolNSC2211011H-Indole-3-ethanamine, 1-.beta.-D-glucopyranosyl-DTXSID40309988NSC-2211013-(2-Aminoethyl)-1-hexopyranosyl-1H-indole
Database identifiers
- CAS
53838-90-7- PubChem CID
- 312152
- DTXSID
DTXSID40309988
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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