Structure & Deep Data of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester (C12H30N2O6P2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester molecule contains a total of 51 bond(s). There are 21 non-H bond(s), 2 multiple bond(s), 15 rotatable bond(s), and 2 double bond(s). Images of the chemical structure of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester are given below:

The 2D chemical structure image of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester 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 [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester 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 [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester

  The SMILES string of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester is CCOP(=O)(NCCCCNP(=O)(OCC)OCC)OCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester.

• Structure Data File (SDF/MOL File) of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester

  The structure data file (SDF/MOL File) of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester is available for download in the SDF page of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester, which provides the information about the atoms, bonds, connectivity and coordinates of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester. The [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester

  The molecular formula of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester is available in chemical formula page of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester

  The molecular weight of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester is available in molecular weight page of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester, 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 [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester

  The [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester including the various registry numbers, if available:

  • [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester

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[4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester?
C12H30N2O6P2
How many atoms and what are the elements included the [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester molecule?
52 atom(s) - 30 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s), 6 Oxygen atom(s), and 2 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are included the [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester structure?
51 bond(s) - 21 non-H bond(s), 2 multiple bond(s), 15 rotatable bond(s), and 2 double bond(s)
What’s the [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester’s molecular weight?
360.323924 g/mol
What’s the SMILES code of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester?
CCOP(=O)(NCCCCNP(=O)(OCC)OCC)OCC
What’s the InChI string of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester?
InChI=1S/C12H30N2O6P2/c1-5-17-21(15,18-6-2)13-11-9-10-12-14-22(16,19-7-3)20-8-4/h5-12H2,1-4H3,(H,13,15)(H,14,16)
What’s the InChIKey code of [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester?
NACGKSLVMQECFV-UHFFFAOYSA-N

21 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).