Structure & Deep Data of INDICAN (C14H17NO6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The INDICAN molecule contains a total of 40 bond(s). There are 23 non-H bond(s), 10 multiple bond(s), 3 rotatable bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 4 hydroxyl group(s), 1 primary alcohol(s), 3 secondary alcohol(s), 1 ether(s) (aliphatic), 1 ether(s) (aromatic), and 1 Pyrrole(s). Images of the chemical structure of INDICAN are given below:

The 2D chemical structure image of INDICAN is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of INDICAN are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of INDICAN is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of INDICAN. Download structure data file (SDF/MOL) file of this compound.

---

chemical table area

Search Another Chemical Structure

Enter another compound to search for chemical structure:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying INDICAN Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of INDICAN

  The SMILES string of INDICAN is OCC3OC(Oc1c[nH]c2ccccc12)C(O)C(O)C3O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the INDICAN.

• Structure Data File (SDF/MOL File) of INDICAN

  The structure data file (SDF/MOL File) of INDICAN is available for download in the SDF page of INDICAN, which provides the information about the atoms, bonds, connectivity and coordinates of INDICAN. The INDICAN structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of INDICAN

  The molecular formula of INDICAN is available in chemical formula page of INDICAN, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of INDICAN

  The molecular weight of INDICAN is available in molecular weight page of INDICAN, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of INDICAN

  The INDICAN compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of INDICAN including the various registry numbers, if available:

  • Indican, plant
  • Indican glucoside
  • 487-60-5
  • 1328-73-0
  • (2S,3R,4S,5S,6R)-2-(1H-indol-3-yloxy)-6-methylol-tetrahydropyran-3,4,5-triol
  • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5-triol

---

INDICAN Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of INDICAN?
C14H17NO6
How many atoms and what are the elements included the INDICAN molecule?
38 atom(s) - 17 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the INDICAN structure?
40 bond(s) - 23 non-H bond(s), 10 multiple bond(s), 3 rotatable bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 4 hydroxyl group(s), 1 primary alcohol(s), 3 secondary alcohol(s), 1 ether(s) (aliphatic), 1 ether(s) (aromatic), and 1 Pyrrole(s)
What’s the INDICAN’s molecular weight?
295.28788 g/mol
What’s the SMILES code of INDICAN?
OCC3OC(Oc1c[nH]c2ccccc12)C(O)C(O)C3O
What’s the InChI string of INDICAN?
InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
What’s the InChIKey code of INDICAN?
XVARCVCWNFACQC-RKQHYHRCSA-N

3046 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).