Structure & Deep Data of Boc-ethanolamine Dibenzylphosphate (C21H28NO6P)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Boc-ethanolamine Dibenzylphosphate molecule contains a total of 58 bond(s). There are 30 non-H bond(s), 14 multiple bond(s), 12 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), and 1 phosphate(s)/thiophosphate(s). Images of the chemical structure of Boc-ethanolamine Dibenzylphosphate are given below:

The 2D chemical structure image of Boc-ethanolamine Dibenzylphosphate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Boc-ethanolamine Dibenzylphosphate 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 Boc-ethanolamine Dibenzylphosphate 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 Boc-ethanolamine Dibenzylphosphate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Boc-ethanolamine Dibenzylphosphate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Boc-ethanolamine Dibenzylphosphate

  The SMILES string of Boc-ethanolamine Dibenzylphosphate is CC(C)(C)OC(=O)NCCOP(=O)(OCc1ccccc1)OCc2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Boc-ethanolamine Dibenzylphosphate.

• Structure Data File (SDF/MOL File) of Boc-ethanolamine Dibenzylphosphate

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

• Chemical formula of Boc-ethanolamine Dibenzylphosphate

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

• Molecular weight of Boc-ethanolamine Dibenzylphosphate

  The molecular weight of Boc-ethanolamine Dibenzylphosphate is available in molecular weight page of Boc-ethanolamine Dibenzylphosphate, 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 Boc-ethanolamine Dibenzylphosphate

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

  • 8-Phenyl-6-(phenylmethoxy)-5,7-dioxa-2-aza-6-phosphaoctanoic Acid 1,1-Dimethylethyl Ester 6-Oxide
  • TERT-BUTYL N-{2-[(DIBENZYLOXYPHOSPHORYL)OXY]ETHYL}CARBAMATE
  • tert-Butyl (2-{[bis(benzyloxy)phosphoryl]oxy}ethyl)carbamate
  • 1076199-25-1
  • Boc-ethanolamine Dibenzylphosphate

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Boc-ethanolamine Dibenzylphosphate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Boc-ethanolamine Dibenzylphosphate?
C21H28NO6P
How many atoms and what are the elements included the Boc-ethanolamine Dibenzylphosphate molecule?
57 atom(s) - 28 Hydrogen atom(s), 21 Carbon atom(s), 1 Nitrogen atom(s), 6 Oxygen atom(s), and 1 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are included the Boc-ethanolamine Dibenzylphosphate structure?
58 bond(s) - 30 non-H bond(s), 14 multiple bond(s), 12 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), and 1 phosphate(s)/thiophosphate(s)
What’s the Boc-ethanolamine Dibenzylphosphate’s molecular weight?
421.423882 g/mol
What’s the SMILES code of Boc-ethanolamine Dibenzylphosphate?
CC(C)(C)OC(=O)NCCOP(=O)(OCc1ccccc1)OCc2ccccc2
What’s the InChI string of Boc-ethanolamine Dibenzylphosphate?
InChI=1S/C21H28NO6P/c1-21(2,3)28-20(23)22-14-15-25-29(24,26-16-18-10-6-4-7-11-18)27-17-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H,22,23)
What’s the InChIKey code of Boc-ethanolamine Dibenzylphosphate?
RVSMWJQWFJMFMT-UHFFFAOYSA-N

33 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).