Structure & Deep Data of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) (C38H65NO29)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The DIFUCOSYLLACTO-N-HEXAOSE I (9CI) molecule contains a total of 137 bond(s). There are 72 non-H bond(s), 2 multiple bond(s), 19 rotatable bond(s), 2 double bond(s), 5 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 aldehyde(s) (aliphatic), 17 hydroxyl group(s), 4 primary alcohol(s), 13 secondary alcohol(s), and 10 ether(s) (aliphatic). Images of the chemical structure of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) are given below:

The 2D chemical structure image of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) 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 DIFUCOSYLLACTO-N-HEXAOSE I (9CI) 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 DIFUCOSYLLACTO-N-HEXAOSE I (9CI). Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying DIFUCOSYLLACTO-N-HEXAOSE I (9CI) Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of DIFUCOSYLLACTO-N-HEXAOSE I (9CI)

  The SMILES string of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) is CC5OC(OC(CO)C(OC1OC(CO)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C(OC4OC(CO)C(O)C(O)C4O)C=O)C(O)C(O)C5O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the DIFUCOSYLLACTO-N-HEXAOSE I (9CI).

• Structure Data File (SDF/MOL File) of DIFUCOSYLLACTO-N-HEXAOSE I (9CI)

  The structure data file (SDF/MOL File) of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) is available for download in the SDF page of DIFUCOSYLLACTO-N-HEXAOSE I (9CI), which provides the information about the atoms, bonds, connectivity and coordinates of DIFUCOSYLLACTO-N-HEXAOSE I (9CI). The DIFUCOSYLLACTO-N-HEXAOSE I (9CI) structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of DIFUCOSYLLACTO-N-HEXAOSE I (9CI)

  The molecular formula of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) is available in chemical formula page of DIFUCOSYLLACTO-N-HEXAOSE I (9CI), which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of DIFUCOSYLLACTO-N-HEXAOSE I (9CI)

  The molecular weight of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) is available in molecular weight page of DIFUCOSYLLACTO-N-HEXAOSE I (9CI), 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 DIFUCOSYLLACTO-N-HEXAOSE I (9CI)

  The DIFUCOSYLLACTO-N-HEXAOSE I (9CI) compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of DIFUCOSYLLACTO-N-HEXAOSE I (9CI) including the various registry numbers, if available:

  • 2-Acetamido-2-deoxyhexopyranosyl-(1->3)-[6-deoxyhexopyranosyl-(1->5)]-[6-deoxyhexopyranosyl-(1->2)hexopyranosyl-(1->4)]-[hexopyranosyl-(1->2)]hexose
  • DIFUCOSYLLACTO-N-HEXAOSE I (9CI)
  • 482638-98-2

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DIFUCOSYLLACTO-N-HEXAOSE I (9CI) Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of DIFUCOSYLLACTO-N-HEXAOSE I (9CI)?
C38H65NO29
How many atoms and what are the elements included the DIFUCOSYLLACTO-N-HEXAOSE I (9CI) molecule?
133 atom(s) - 65 Hydrogen atom(s), 38 Carbon atom(s), 1 Nitrogen atom(s), and 29 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the DIFUCOSYLLACTO-N-HEXAOSE I (9CI) structure?
137 bond(s) - 72 non-H bond(s), 2 multiple bond(s), 19 rotatable bond(s), 2 double bond(s), 5 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 aldehyde(s) (aliphatic), 17 hydroxyl group(s), 4 primary alcohol(s), 13 secondary alcohol(s), and 10 ether(s) (aliphatic)
What’s the DIFUCOSYLLACTO-N-HEXAOSE I (9CI)’s molecular weight?
999.912 g/mol
What’s the SMILES code of DIFUCOSYLLACTO-N-HEXAOSE I (9CI)?
CC5OC(OC(CO)C(OC1OC(CO)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C(OC4OC(CO)C(O)C(O)C4O)C=O)C(O)C(O)C5O
What’s the InChI string of DIFUCOSYLLACTO-N-HEXAOSE I (9CI)?
InChI=1S/C38H65NO29/c1-9-18(46)24(52)28(56)35(59-9)64-16(8-44)32(67-38-33(27(55)22(50)14(6-42)63-38)68-36-29(57)25(53)19(47)10(2)60-36)31(15(7-43)65-37-30(58)26(54)21(49)13(5-41)62-37)66-34-17(39-11(3)45)23(51)20(48)12(4-40)61-34/h7,9-10,12-38,40-42,44,46-58H,4-6,8H2,1-3H3,(H,39,45)
What’s the InChIKey code of DIFUCOSYLLACTO-N-HEXAOSE I (9CI)?
PSJVAGXZRSPYJB-UHFFFAOYSA-N

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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).