Structure & Deep Data of Fmoc-D-allo-threoninol (C19H21NO4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Fmoc-D-allo-threoninol molecule contains a total of 47 bond(s). There are 26 non-H bond(s), 13 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 secondary alcohol(s). Images of the chemical structure of Fmoc-D-allo-threoninol are given below:

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

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Additional Information for Identifying Fmoc-D-allo-threoninol Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Fmoc-D-allo-threoninol

  The SMILES string of Fmoc-D-allo-threoninol is CC(O)C(CO)NC(=O)OCC2c1ccccc1c3ccccc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Fmoc-D-allo-threoninol.

• Structure Data File (SDF/MOL File) of Fmoc-D-allo-threoninol

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

• Chemical formula of Fmoc-D-allo-threoninol

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

• Molecular weight of Fmoc-D-allo-threoninol

  The molecular weight of Fmoc-D-allo-threoninol is available in molecular weight page of Fmoc-D-allo-threoninol, 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 Fmoc-D-allo-threoninol

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

  • (9H-Fluoren-9-yl)methyl ((2S,3R)-1,3-dihydroxybutan-2-yl)carbamate
  • J-007750
  • 6818AH
  • Carbamic acid,N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester
  • Fmoc-D-allo-Thr-ol
  • 143143-54-8
  • Fmoc-D-allo-threoninol

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Fmoc-D-allo-threoninol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Fmoc-D-allo-threoninol?
C19H21NO4
How many atoms and what are the elements included the Fmoc-D-allo-threoninol molecule?
45 atom(s) - 21 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Fmoc-D-allo-threoninol structure?
47 bond(s) - 26 non-H bond(s), 13 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 secondary alcohol(s)
What’s the Fmoc-D-allo-threoninol’s molecular weight?
327.37434 g/mol
What’s the SMILES code of Fmoc-D-allo-threoninol?
CC(O)C(CO)NC(=O)OCC2c1ccccc1c3ccccc23
What’s the InChI string of Fmoc-D-allo-threoninol?
InChI=1S/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18+/m1/s1
What’s the InChIKey code of Fmoc-D-allo-threoninol?
YOKDHMTZJSRRIQ-XIKOKIGWSA-N

28 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).