Chemical composition of P43 rail

P43 rail is made from high carbon alloy steel, with the following chemical composition for U71Mn material:

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• Carbon (C): 0.65%- 0.77%
• Manganese (Mn): 1.10%- 1.50%
• Silicon (Si): 0.15%- 0.35%
• Phosphorus (P): 0.04%
• Sulfur (S): 0.04%
• Other elements: 0.20%

Mechanical properties of P43 rail

• Minimum tensile strength: 500 MPa
• Minimum bending strength: 420 MPa
• Minimum elongation: 14%

P43 : Atoms of Molecule

Total Number of Atoms: 53
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate 1 C1 C C1 N N N 0 -3.621 -0.812 0.125 2 C2 C C2 N Y N 0 4.661 1.602 2.191 3 C3 C C3 N Y N 0 3.917 0.633 1.543 4 C4 C C4 N Y N 0 4.04 0.465 0.177 5 C5 C C5 N Y N 0 4.908 1.265 -0.542 6 C6 C C6 N Y N 0 5.651 2.235 0.104 7 C7 C C7 N Y N 0 5.528 2.402 1.471 8 C8 C C8 N N N 0 6.597 3.107 -0.68 9 N9 N N9 N N N 0 5.887 4.308 -1.141 10 C10 C C10 N N N 0 3.23 -0.592 -0.528 11 C11 C C11 N N N 0 3.576 -1.968 0.047 12 C12 C C12 N N N 0 2.776 -3.043 -0.695 13 N13 N N13 N N N 0 1.349 -2.702 -0.628 14 C14 C C14 N N N 0 0.919 -1.369 -1.071 15 C15 C C15 N N N 0 1.739 -0.312 -0.324 16 C16 C C16 N N N 0 0.45 -3.595 -0.168 17 O17 O O17 N N N 0 0.799 -4.734 0.086 18 C18 C C18 N Y N 0 -0.945 -3.196 0.027 19 O19 O O19 N Y N 0 -1.432 -1.943 -0.094 20 C20 C C20 N Y N 0 -2.754 -1.952 0.156 21 C21 C C21 N Y N 0 -3.134 -3.249 0.446 22 C22 C C22 N Y N 0 -1.986 -4.038 0.359 23 C23 C C23 N N N 0 -4.331 0.122 0.101 24 C24 C C24 N Y N 0 -5.197 1.262 0.071 25 C25 C C25 N Y N 0 -6.56 1.117 0.35 26 C26 C C26 N Y N 0 -7.387 2.22 0.32 27 C27 C C27 N Y N 0 -6.874 3.468 0.013 28 C28 C C28 N Y N 0 -5.528 3.622 -0.265 29 C29 C C29 N Y N 0 -4.683 2.529 -0.233 30 F30 F F30 N N N 0 -3.367 2.681 -0.5 31 H2 H H2 N N N 0 4.561 1.737 3.257 32 H3 H H3 N N N 0 3.239 0.007 2.106 33 H7 H H7 N N N 0 6.11 3.159 1.977 34 H5 H H5 N N N 0 5.005 1.133 -1.61 35 H10 H H10 N N N 0 3.46 -0.576 -1.593 36 H81C H H81C N N N 0 7.432 3.401 -0.044 37 H82C H H82C N N N 0 6.972 2.554 -1.541 38 H91N H H91N N N N 0 5.475 4.804 -0.366 39 H92N H H92N N N N 0 6.501 4.91 -1.67 40 H111 H H111 N N N 0 4.642 -2.157 -0.077 41 H112 H H112 N N N 0 3.322 -1.993 1.107 42 H121 H H121 N N N 0 3.094 -3.08 -1.737 43 H122 H H122 N N N 0 2.943 -4.012 -0.226 44 H141 H H141 N N N 0 1.085 -1.269 -2.144 45 H142 H H142 N N N 0 -0.14 -1.233 -0.849 46 H151 H H151 N N N 0 1.503 -0.353 0.739 47 H152 H H152 N N N 0 1.499 0.677 -0.713 48 H22 H H22 N N N 0 -1.924 -5.104 0.522 49 H21 H H21 N N N 0 -4.13 -3.588 0.69 50 H25 H H25 N N N 0 -6.963 0.144 0.589 51 H26 H H26 N N N 0 -8.439 2.108 0.536 52 H27 H H27 N N N 0 -7.528 4.327 -0.009 53 H28 H H28 N N N 0 -5.135 4.6 -0.504

P43 : Chemical Bonds

Total Number of Bonds: 56
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic 1 C1 C20 C C sing 1.43 N N 2 C1 C23 C C trip 1.17 N N 3 C2 C3 C C sing 1.38 N Y 4 C2 C7 C C doub 1.38 N Y 5 C3 C4 C C doub 1.38 N Y 6 C4 C5 C C sing 1.38 N Y 7 C4 C10 C C sing 1.51 N N 8 C5 C6 C C doub 1.38 N Y 9 C6 C7 C C sing 1.38 N Y 10 C6 C8 C C sing 1.51 N N 11 C8 N9 C N sing 1.47 N N 12 C10 C11 C C sing 1.53 N N 13 C10 C15 C C sing 1.53 N N 14 C11 C12 C C sing 1.53 N N 15 C12 N13 C N sing 1.47 N N 16 N13 C14 N C sing 1.47 N N 17 N13 C16 N C sing 1.35 N N 18 C14 C15 C C sing 1.53 N N 19 C16 O17 C O doub 1.22 N N 20 C16 C18 C C sing 1.46 N N 21 C18 O19 C O sing 1.35 N Y 22 C18 C22 C C doub 1.38 N Y 23 O19 C20 O C sing 1.35 N Y 24 C20 C21 C C doub 1.38 N Y 25 C21 C22 C C sing 1.4 N Y 26 C23 C24 C C sing 1.43 N N 27 C24 C25 C C sing 1.4 N Y 28 C24 C29 C C doub 1.4 N Y 29 C25 C26 C C doub 1.38 N Y 30 C26 C27 C C sing 1.38 N Y 31 C27 C28 C C doub 1.38 N Y 32 C28 C29 C C sing 1.38 N Y 33 C29 F30 C F sing 1.35 N N 34 C2 H2 C H sing 1.08 N N 35 C3 H3 C H sing 1.08 N N 36 C7 H7 C H sing 1.08 N N 37 C5 H5 C H sing 1.08 N N 38 C10 H10 C H sing 1.09 N N 39 C8 H81C C H sing 1.09 N N 40 C8 H82C C H sing 1.09 N N 41 N9 H91N N H sing 1.01 N N 42 N9 H92N N H sing 1.01 N N 43 C11 H111 C H sing 1.09 N N 44 C11 H112 C H sing 1.09 N N 45 C12 H121 C H sing 1.09 N N 46 C12 H122 C H sing 1.09 N N 47 C14 H141 C H sing 1.09 N N 48 C14 H142 C H sing 1.09 N N 49 C15 H151 C H sing 1.09 N N 50 C15 H152 C H sing 1.09 N N 51 C22 H22 C H sing 1.08 N N 52 C21 H21 C H sing 1.08 N N 53 C25 H25 C H sing 1.08 N N 54 C26 H26 C H sing 1.08 N N 55 C27 H27 C H sing 1.08 N N 56 C28 H28 C H sing 1.08 N N

P43 : Used in PDB Entries

Total Number of PDB Entries: 1
Ligand Code PDB Entry ID Type Total Distinct P43 4a6l Bound ligand 4 1