M6P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.41Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.76Å | |
C5 | O5 | sing | 1.43Å | 1.46Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | P | sing | 1.61Å | 1.50Å | |
P | O1P | doub | 1.48Å | 1.44Å | |
P | O2P | sing | 1.61Å | 1.43Å | |
P | O3P | sing | 1.61Å | 1.59Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 111.7° | 109.4° |
C2 | C1 | O5 | 109.1° | 109.8° |
C2 | C1 | H1 | 108.9° | 109.5° |
C1 | C2 | C3 | 110.4° | 109.1° |
C1 | C2 | O2 | 109.8° | 109.6° |
C1 | C2 | H2 | 108.4° | 109.5° |
O1 | C1 | O5 | 111.3° | 109.4° |
O1 | C1 | H1 | 106.5° | 109.3° |
C1 | O1 | HO1 | 111.7° | 106.9° |
O5 | C1 | H1 | 109.3° | 109.4° |
C1 | O5 | C5 | 115.7° | 107.6° |
C3 | C2 | O2 | 109.0° | 109.5° |
C3 | C2 | H2 | 109.3° | 109.7° |
C2 | C3 | C4 | 110.7° | 108.7° |
C2 | C3 | O3 | 109.7° | 109.8° |
C2 | C3 | H3 | 108.7° | 109.6° |
O2 | C2 | H2 | 109.9° | 109.4° |
C2 | O2 | HO2 | 109.8° | 106.8° |
C4 | C3 | O3 | 110.0° | 109.7° |
C4 | C3 | H3 | 108.4° | 109.6° |
C3 | C4 | C5 | 106.5° | 109.0° |
C3 | C4 | O4 | 110.0° | 109.7° |
C3 | C4 | H4 | 112.1° | 109.4° |
O3 | C3 | H3 | 109.4° | 109.5° |
C3 | O3 | HO3 | 109.7° | 106.8° |
C5 | C4 | O4 | 112.5° | 109.6° |
C5 | C4 | H4 | 109.7° | 109.5° |
C4 | C5 | C6 | 108.0° | 109.3° |
C4 | C5 | O5 | 109.9° | 109.8° |
C4 | C5 | H5 | 105.0° | 109.3° |
O4 | C4 | H4 | 106.1° | 109.5° |
C4 | O4 | HO4 | 110.1° | 106.9° |
C6 | C5 | O5 | 86.1° | 109.4° |
C6 | C5 | H5 | 124.1° | 109.4° |
C5 | C6 | O6 | 147.8° | 109.5° |
C5 | C6 | H61 | 99.4° | 109.5° |
C5 | C6 | H62 | 99.4° | 109.4° |
O5 | C5 | H5 | 122.4° | 109.5° |
O6 | C6 | H61 | 99.5° | 109.5° |
O6 | C6 | H62 | 99.5° | 109.4° |
C6 | O6 | P | 119.3° | 106.8° |
H61 | C6 | H62 | 107.3° | 109.5° |
O6 | P | O1P | 106.7° | 109.4° |
O6 | P | O2P | 104.5° | 109.5° |
O6 | P | O3P | 108.4° | 109.5° |
O1P | P | O2P | 119.1° | 109.4° |
O1P | P | O3P | 108.2° | 109.5° |
O2P | P | O3P | 109.5° | 109.5° |
P | O2P | HOP2 | 104.4° | 106.9° |
P | O3P | HOP3 | 108.4° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 122.2° | 120.3° |
C2 | C1 | O1 | H1 | 118.8° | 119.9° |
C2 | C1 | O5 | H1 | 118.9° | 120.2° |
C1 | C2 | C3 | O2 | 120.7° | 120.0° |
C1 | C2 | C3 | H2 | 119.2° | 119.9° |
C1 | C2 | O2 | H2 | 119.2° | 120.1° |
C1 | C2 | C3 | C4 | 57.3° | 53.7° |
C1 | C2 | C3 | O3 | 178.8° | 173.6° |
C1 | C2 | C3 | H3 | 61.7° | 66.0° |
C2 | C1 | O5 | C5 | 56.6° | 67.5° |
C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
O1 | C1 | O5 | H1 | 117.4° | 119.8° |
O1 | C1 | C2 | C3 | 70.7° | 58.9° |
O1 | C1 | C2 | O2 | 169.1° | 178.8° |
O1 | C1 | C2 | H2 | 49.0° | 61.2° |
O1 | C1 | O5 | C5 | 67.1° | 52.5° |
O5 | C1 | C2 | C3 | 52.8° | 61.2° |
O5 | C1 | C2 | O2 | 67.4° | 58.7° |
O5 | C1 | C2 | H2 | 172.5° | 178.8° |
C1 | O5 | C5 | C4 | 61.2° | 67.6° |
C1 | O5 | C5 | C6 | 169.0° | 172.4° |
C1 | O5 | C5 | H5 | 62.5° | 52.5° |
O5 | C1 | O1 | HO1 | 57.8° | 59.8° |
H1 | C1 | C2 | C3 | 172.0° | 178.6° |
H1 | C1 | C2 | O2 | 51.8° | 61.4° |
H1 | C1 | C2 | H2 | 68.3° | 58.6° |
H1 | C1 | O5 | C5 | 175.5° | 172.3° |
H1 | C1 | O1 | HO1 | 61.2° | 60.0° |
C3 | C2 | O2 | H2 | 119.8° | 120.2° |
C2 | C3 | C4 | O3 | 121.3° | 120.0° |
C2 | C3 | C4 | H3 | 119.1° | 119.7° |
C2 | C3 | O3 | H3 | 119.1° | 120.4° |
C2 | C3 | C4 | C5 | 59.1° | 53.6° |
C2 | C3 | C4 | O4 | 178.7° | 173.7° |
C2 | C3 | C4 | H4 | 60.9° | 66.2° |
C3 | C2 | O2 | HO2 | 59.0° | 180.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.6° |
O2 | C2 | C3 | C4 | 63.4° | 66.3° |
O2 | C2 | C3 | O3 | 58.1° | 53.6° |
O2 | C2 | C3 | H3 | 177.7° | 174.0° |
H2 | C2 | C3 | C4 | 176.5° | 173.6° |
H2 | C2 | C3 | O3 | 62.0° | 66.5° |
H2 | C2 | C3 | H3 | 57.5° | 53.9° |
H2 | C2 | O2 | HO2 | 60.8° | 59.8° |
C4 | C3 | O3 | H3 | 119.0° | 120.3° |
C3 | C4 | C5 | O4 | 120.6° | 120.1° |
C3 | C4 | C5 | H4 | 121.5° | 119.7° |
C3 | C4 | O4 | H4 | 121.5° | 120.1° |
C3 | C4 | C5 | C6 | 151.7° | 178.7° |
C3 | C4 | C5 | O5 | 59.3° | 61.2° |
C3 | C4 | C5 | H5 | 74.1° | 59.0° |
C4 | C3 | O3 | HO3 | 58.1° | 180.0° |
C3 | C4 | O4 | HO4 | 180.0° | 60.3° |
O3 | C3 | C4 | C5 | 179.6° | 173.7° |
O3 | C3 | C4 | O4 | 57.4° | 66.3° |
O3 | C3 | C4 | H4 | 60.5° | 53.9° |
H3 | C3 | C4 | C5 | 60.0° | 66.1° |
H3 | C3 | C4 | O4 | 62.2° | 53.9° |
H3 | C3 | C4 | H4 | 180.0° | 174.1° |
H3 | C3 | O3 | HO3 | 60.9° | 59.8° |
C5 | C4 | O4 | H4 | 119.9° | 120.2° |
C4 | C5 | C6 | O5 | 109.7° | 120.3° |
C4 | C5 | C6 | H5 | 123.2° | 119.7° |
C4 | C5 | O5 | H5 | 123.7° | 120.1° |
C4 | C5 | C6 | O6 | 70.7° | 179.7° |
C4 | C5 | C6 | H61 | 54.6° | 59.6° |
C4 | C5 | C6 | H62 | 164.1° | 60.4° |
C5 | C4 | O4 | HO4 | 61.4° | 180.0° |
O4 | C4 | C5 | C6 | 87.6° | 58.6° |
O4 | C4 | C5 | O5 | 179.9° | 178.7° |
O4 | C4 | C5 | H5 | 46.5° | 61.1° |
H4 | C4 | C5 | C6 | 30.2° | 61.6° |
H4 | C4 | C5 | O5 | 62.2° | 58.5° |
H4 | C4 | C5 | H5 | 164.4° | 178.7° |
H4 | C4 | O4 | HO4 | 58.5° | 59.8° |
C6 | C5 | O5 | H5 | 128.5° | 119.9° |
C5 | C6 | O6 | H61 | 125.2° | 120.0° |
C5 | C6 | O6 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 103.0° | 120.0° |
C5 | C6 | O6 | P | 137.1° | 180.0° |
O5 | C5 | C6 | O6 | 179.7° | 60.0° |
O5 | C5 | C6 | H61 | 55.1° | 180.0° |
O5 | C5 | C6 | H62 | 54.4° | 60.0° |
H5 | C5 | C6 | O6 | 52.6° | 60.0° |
H5 | C5 | C6 | H61 | 177.8° | 60.1° |
H5 | C5 | C6 | H62 | 72.7° | 179.9° |
O6 | C6 | H61 | H62 | 103.2° | 120.0° |
C6 | O6 | P | O1P | 53.6° | 60.1° |
C6 | O6 | P | O2P | 179.4° | 180.0° |
C6 | O6 | P | O3P | 62.7° | 60.0° |
H61 | C6 | O6 | P | 97.6° | 59.9° |
H62 | C6 | O6 | P | 11.9° | 60.1° |
O6 | P | O1P | O2P | 117.7° | 119.9° |
O6 | P | O1P | O3P | 116.4° | 120.1° |
O6 | P | O2P | O3P | 115.9° | 120.1° |
O6 | P | O2P | HOP2 | 180.0° | 180.0° |
O6 | P | O3P | HOP3 | 180.0° | 60.0° |
O1P | P | O2P | O3P | 125.2° | 120.0° |
O1P | P | O2P | HOP2 | 61.1° | 60.1° |
O1P | P | O3P | HOP3 | 64.7° | 180.0° |
O2P | P | O3P | HOP3 | 66.6° | 60.1° |
O3P | P | O2P | HOP2 | 64.1° | 59.9° |