1D-1-O-(indol-3-yl)acetyl-myo-inositol
Basic information
- CAS
73925-84-5- Standard SMILES
O=C(Cc1c[nH]c2ccccc12)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O- InChIKey
XUACNUJFOIKYPQ-ONKIVUJISA-N- Molecular formula
- C16H19NO7
- Average molar mass
- 337.32 g/mol
- Monoisotopic mass
- 337.11615195
Overview
1H-Indol-3-ylacetyl-myo-inositol is a member of indole-3-acetic acids.
Names & identifiers
- Preferred name
- 1D-1-O-(indol-3-yl)acetyl-myo-inositol
- IUPAC
- [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetate
Names & synonyms
1D-1-O-(indol-3-yl)acetyl-myo-inositolIndol-3-ylacetyl-1D-myo-inositolIndole-3-acetyl-myo-inositol[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetateIndol-3-ylacetyl-myo-inositolCHEBI:15711indole-3-acetyl-1D-myo-inositol1h-indol-3-ylacetyl-myo-inositolCHEBI:1679132-Q-(Indole-3-acetyl)-myo-inositol1-DL-(Indole-3-acetyl)-myo-inositolQ27098200
Database identifiers
- CAS
73925-84-5- PubChem CID
- 440152
- ChEBI
CHEBI:167913- Nikkaji
- J2.341.034F
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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