Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.49Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C6 | H63 | sing | 1.09Å | 1.11Å | |
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 |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 111.3° | 109.4° |
C2 | C1 | O5 | 112.7° | 109.8° |
C2 | C1 | H1 | 106.0° | 109.4° |
C1 | C2 | C3 | 113.7° | 109.0° |
C1 | C2 | O2 | 109.2° | 109.5° |
C1 | C2 | H2 | 106.8° | 109.5° |
O1 | C1 | O5 | 109.7° | 109.4° |
O1 | C1 | H1 | 109.3° | 109.4° |
C1 | O1 | HO1 | 111.3° | 106.9° |
O5 | C1 | H1 | 107.8° | 109.3° |
C1 | O5 | C5 | 118.5° | 107.6° |
C3 | C2 | O2 | 109.4° | 109.6° |
C3 | C2 | H2 | 106.5° | 109.6° |
C2 | C3 | C4 | 110.7° | 108.6° |
C2 | C3 | O3 | 110.6° | 109.7° |
C2 | C3 | H3 | 107.2° | 109.6° |
O2 | C2 | H2 | 111.2° | 109.5° |
C2 | O2 | HO2 | 109.2° | 106.9° |
C4 | C3 | O3 | 107.4° | 109.7° |
C4 | C3 | H3 | 110.4° | 109.6° |
C3 | C4 | C5 | 108.6° | 109.0° |
C3 | C4 | O4 | 109.1° | 109.6° |
C3 | C4 | H4 | 110.7° | 109.5° |
O3 | C3 | H3 | 110.5° | 109.6° |
C3 | O3 | HO3 | 110.7° | 106.8° |
C5 | C4 | O4 | 110.7° | 109.6° |
C5 | C4 | H4 | 109.1° | 109.7° |
C4 | C5 | C6 | 113.4° | 109.4° |
C4 | C5 | O5 | 109.0° | 109.8° |
C4 | C5 | H5 | 106.5° | 109.4° |
O4 | C4 | H4 | 108.6° | 109.5° |
C4 | O4 | HO4 | 109.1° | 106.8° |
C6 | C5 | O5 | 107.6° | 109.4° |
C6 | C5 | H5 | 108.0° | 109.4° |
C5 | C6 | H61 | 113.4° | 109.5° |
C5 | C6 | H62 | 110.7° | 109.5° |
C5 | C6 | H63 | 110.8° | 109.5° |
O5 | C5 | H5 | 112.5° | 109.4° |
H61 | C6 | H62 | 110.8° | 109.5° |
H61 | C6 | H63 | 110.8° | 109.5° |
H62 | C6 | H63 | 99.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 125.4° | 120.3° |
C2 | C1 | O1 | H1 | 116.7° | 119.9° |
C2 | C1 | O5 | H1 | 116.6° | 120.1° |
C1 | C2 | C3 | O2 | 122.4° | 119.9° |
C1 | C2 | C3 | H2 | 117.3° | 119.8° |
C1 | C2 | O2 | H2 | 117.6° | 120.1° |
C1 | C2 | C3 | C4 | 49.0° | 53.7° |
C1 | C2 | C3 | O3 | 167.9° | 173.7° |
C1 | C2 | C3 | H3 | 71.5° | 66.0° |
C2 | C1 | O5 | C5 | 45.0° | 67.6° |
C2 | C1 | O1 | HO1 | 180.0° | 179.7° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O1 | C1 | O5 | H1 | 118.9° | 119.8° |
O1 | C1 | C2 | C3 | 83.4° | 58.8° |
O1 | C1 | C2 | O2 | 39.1° | 61.2° |
O1 | C1 | C2 | H2 | 159.5° | 178.7° |
O1 | C1 | O5 | C5 | 79.6° | 52.5° |
O5 | C1 | C2 | C3 | 40.2° | 61.3° |
O5 | C1 | C2 | O2 | 162.8° | 178.8° |
O5 | C1 | C2 | H2 | 76.9° | 58.6° |
C1 | O5 | C5 | C4 | 55.7° | 67.6° |
C1 | O5 | C5 | C6 | 179.1° | 172.3° |
C1 | O5 | C5 | H5 | 62.2° | 52.4° |
O5 | C1 | O1 | HO1 | 54.6° | 59.9° |
H1 | C1 | C2 | C3 | 157.8° | 178.7° |
H1 | C1 | C2 | O2 | 79.6° | 58.7° |
H1 | C1 | C2 | H2 | 40.8° | 61.4° |
H1 | C1 | O5 | C5 | 161.5° | 172.3° |
H1 | C1 | O1 | HO1 | 63.3° | 59.8° |
C3 | C2 | O2 | H2 | 117.3° | 120.3° |
C2 | C3 | C4 | O3 | 120.9° | 119.9° |
C2 | C3 | C4 | H3 | 118.6° | 119.7° |
C2 | C3 | O3 | H3 | 118.6° | 120.3° |
C2 | C3 | C4 | C5 | 59.0° | 53.8° |
C2 | C3 | C4 | O4 | 179.7° | 173.7° |
C2 | C3 | C4 | H4 | 60.8° | 66.2° |
C3 | C2 | O2 | HO2 | 54.9° | 179.6° |
C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
O2 | C2 | C3 | C4 | 171.4° | 173.6° |
O2 | C2 | C3 | O3 | 69.7° | 66.4° |
O2 | C2 | C3 | H3 | 50.9° | 53.9° |
H2 | C2 | C3 | C4 | 68.3° | 66.1° |
H2 | C2 | C3 | O3 | 50.7° | 53.8° |
H2 | C2 | C3 | H3 | 171.2° | 174.2° |
H2 | C2 | O2 | HO2 | 62.5° | 60.1° |
C4 | C3 | O3 | H3 | 120.5° | 120.4° |
C3 | C4 | C5 | O4 | 119.7° | 119.9° |
C3 | C4 | C5 | H4 | 120.8° | 119.8° |
C3 | C4 | O4 | H4 | 120.8° | 120.1° |
C3 | C4 | C5 | C6 | 179.7° | 178.6° |
C3 | C4 | C5 | O5 | 60.6° | 61.3° |
C3 | C4 | C5 | H5 | 61.1° | 58.8° |
C4 | C3 | O3 | HO3 | 59.1° | 179.1° |
C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
O3 | C3 | C4 | C5 | 179.8° | 173.7° |
O3 | C3 | C4 | O4 | 59.4° | 66.4° |
O3 | C3 | C4 | H4 | 60.0° | 53.7° |
H3 | C3 | C4 | C5 | 59.6° | 66.0° |
H3 | C3 | C4 | O4 | 61.1° | 53.9° |
H3 | C3 | C4 | H4 | 179.4° | 174.1° |
H3 | C3 | O3 | HO3 | 61.4° | 60.5° |
C5 | C4 | O4 | H4 | 119.8° | 120.3° |
C4 | C5 | C6 | O5 | 120.6° | 120.3° |
C4 | C5 | C6 | H5 | 117.8° | 119.8° |
C4 | C5 | O5 | H5 | 117.9° | 120.1° |
C4 | C5 | C6 | H61 | 180.0° | 179.8° |
C4 | C5 | C6 | H62 | 54.7° | 59.8° |
C4 | C5 | C6 | H63 | 54.7° | 60.2° |
C5 | C4 | O4 | HO4 | 60.5° | 60.5° |
O4 | C4 | C5 | C6 | 59.9° | 58.7° |
O4 | C4 | C5 | O5 | 179.7° | 178.7° |
O4 | C4 | C5 | H5 | 58.7° | 61.2° |
H4 | C4 | C5 | C6 | 59.5° | 61.6° |
H4 | C4 | C5 | O5 | 60.3° | 58.5° |
H4 | C4 | C5 | H5 | 178.1° | 178.6° |
H4 | C4 | O4 | HO4 | 59.2° | 59.8° |
C6 | C5 | O5 | H5 | 118.8° | 119.9° |
C5 | C6 | H61 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H63 | 125.3° | 120.0° |
C5 | C6 | H62 | H63 | 116.6° | 120.0° |
O5 | C5 | C6 | H61 | 59.4° | 59.9° |
O5 | C5 | C6 | H62 | 175.3° | 179.9° |
O5 | C5 | C6 | H63 | 65.9° | 60.1° |
H5 | C5 | C6 | H61 | 62.2° | 60.0° |
H5 | C5 | C6 | H62 | 63.0° | 60.0° |
H5 | C5 | C6 | H63 | 172.5° | 180.0° |
H61 | C6 | H62 | H63 | 116.6° | 120.0° |