Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.50Å | 1.45Å | |
C1 | O5 | sing | 1.18Å | 1.27Å | |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.35Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.39Å | |
C3 | C4 | sing | 1.54Å | 1.52Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.40Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.44Å | 1.47Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.40Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 121.3° | 125.5° |
C2 | C1 | H1 | 126.1° | 117.2° |
C1 | C2 | O2 | 109.2° | 109.4° |
C1 | C2 | C3 | 115.6° | 109.8° |
C1 | C2 | H2 | 109.6° | 109.4° |
O5 | C1 | H1 | 112.6° | 117.3° |
C1 | O5 | C5 | 127.5° | 126.6° |
O2 | C2 | C3 | 119.1° | 109.4° |
O2 | C2 | H2 | 105.0° | 109.4° |
C2 | O2 | HO2 | 109.2° | 106.8° |
C3 | C2 | H2 | 96.7° | 109.4° |
C2 | C3 | O3 | 106.0° | 109.8° |
C2 | C3 | C4 | 114.8° | 107.8° |
C2 | C3 | H3 | 108.9° | 109.7° |
O3 | C3 | C4 | 111.6° | 109.9° |
O3 | C3 | H3 | 112.4° | 109.8° |
C3 | O3 | HO3 | 106.0° | 106.9° |
C4 | C3 | H3 | 103.2° | 109.9° |
C3 | C4 | O4 | 106.0° | 109.7° |
C3 | C4 | C5 | 110.1° | 108.1° |
C3 | C4 | H4 | 111.4° | 109.7° |
O4 | C4 | C5 | 109.8° | 109.7° |
O4 | C4 | H4 | 111.7° | 109.8° |
C4 | O4 | HO4 | 106.1° | 106.8° |
C5 | C4 | H4 | 107.8° | 109.7° |
C4 | C5 | C6 | 120.1° | 109.2° |
C4 | C5 | O5 | 112.7° | 110.6° |
C4 | C5 | H5 | 97.8° | 109.3° |
C6 | C5 | O5 | 105.0° | 109.3° |
C6 | C5 | H5 | 106.6° | 109.2° |
C5 | C6 | O6 | 111.0° | 109.4° |
C5 | C6 | H61 | 111.6° | 109.5° |
C5 | C6 | H62 | 111.6° | 109.5° |
O5 | C5 | H5 | 114.9° | 109.2° |
O6 | C6 | H61 | 111.7° | 109.5° |
O6 | C6 | H62 | 111.7° | 109.5° |
C6 | O6 | HO6 | 110.9° | 106.8° |
H61 | C6 | H62 | 98.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | H1 | 180.0° | 179.9° |
C1 | C2 | O2 | C3 | 135.8° | 120.3° |
C1 | C2 | O2 | H2 | 117.5° | 119.9° |
C1 | C2 | C3 | H2 | 115.5° | 120.1° |
C1 | C2 | O2 | HO2 | 179.9° | 60.1° |
C1 | C2 | C3 | O3 | 156.6° | 165.8° |
C1 | C2 | C3 | C4 | 33.0° | 46.2° |
C1 | C2 | C3 | H3 | 82.2° | 73.4° |
C2 | C1 | O5 | C5 | 6.7° | 0.8° |
O5 | C1 | C2 | O2 | 148.9° | 135.9° |
O5 | C1 | C2 | C3 | 11.3° | 15.9° |
O5 | C1 | C2 | H2 | 96.6° | 104.2° |
C1 | O5 | C5 | C4 | 22.6° | 17.8° |
C1 | O5 | C5 | C6 | 155.0° | 138.0° |
C1 | O5 | C5 | H5 | 88.2° | 102.5° |
H1 | C1 | C2 | O2 | 31.1° | 44.0° |
H1 | C1 | C2 | C3 | 168.6° | 164.0° |
H1 | C1 | C2 | H2 | 83.5° | 75.9° |
H1 | C1 | O5 | C5 | 173.2° | 179.2° |
O2 | C2 | C3 | H2 | 111.3° | 119.8° |
O2 | C2 | C3 | O3 | 70.2° | 74.1° |
O2 | C2 | C3 | C4 | 166.1° | 166.2° |
O2 | C2 | C3 | H3 | 51.0° | 46.6° |
C3 | C2 | O2 | HO2 | 44.1° | 179.7° |
C2 | C3 | O3 | C4 | 125.7° | 118.4° |
C2 | C3 | O3 | H3 | 118.9° | 120.7° |
C2 | C3 | C4 | H3 | 118.4° | 119.6° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | O4 | 166.0° | 176.9° |
C2 | C3 | C4 | C5 | 47.3° | 63.4° |
C2 | C3 | C4 | H4 | 72.3° | 56.2° |
H2 | C2 | O2 | HO2 | 62.6° | 59.8° |
H2 | C2 | C3 | O3 | 41.1° | 45.7° |
H2 | C2 | C3 | C4 | 82.5° | 73.9° |
H2 | C2 | C3 | H3 | 162.3° | 166.4° |
O3 | C3 | C4 | H3 | 120.9° | 120.9° |
O3 | C3 | C4 | O4 | 73.3° | 57.3° |
O3 | C3 | C4 | C5 | 168.0° | 177.0° |
O3 | C3 | C4 | H4 | 48.4° | 63.4° |
C4 | C3 | O3 | HO3 | 54.3° | 178.4° |
C3 | C4 | O4 | C5 | 118.9° | 118.7° |
C3 | C4 | O4 | H4 | 121.6° | 120.6° |
C3 | C4 | C5 | H4 | 121.7° | 119.6° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | C6 | 165.4° | 168.7° |
C3 | C4 | C5 | O5 | 40.8° | 48.4° |
C3 | C4 | C5 | H5 | 80.3° | 71.8° |
H3 | C3 | O3 | HO3 | 61.0° | 60.7° |
H3 | C3 | C4 | O4 | 47.6° | 63.5° |
H3 | C3 | C4 | C5 | 71.1° | 56.1° |
H3 | C3 | C4 | H4 | 169.4° | 175.8° |
O4 | C4 | C5 | H4 | 121.9° | 120.7° |
O4 | C4 | C5 | C6 | 78.2° | 71.6° |
O4 | C4 | C5 | O5 | 157.2° | 168.1° |
O4 | C4 | C5 | H5 | 36.1° | 47.8° |
C5 | C4 | O4 | HO4 | 61.1° | 178.6° |
C4 | C5 | C6 | O5 | 128.1° | 121.1° |
C4 | C5 | C6 | H5 | 109.6° | 119.4° |
C4 | C5 | O5 | H5 | 110.8° | 120.3° |
C4 | C5 | C6 | O6 | 29.3° | 174.5° |
C4 | C5 | C6 | H61 | 154.6° | 65.6° |
C4 | C5 | C6 | H62 | 96.0° | 54.4° |
H4 | C4 | O4 | HO4 | 58.4° | 60.7° |
H4 | C4 | C5 | C6 | 43.7° | 49.1° |
H4 | C4 | C5 | O5 | 80.9° | 71.2° |
H4 | C4 | C5 | H5 | 158.0° | 168.5° |
C6 | C5 | O5 | H5 | 116.8° | 119.5° |
C5 | C6 | O6 | H61 | 125.2° | 120.0° |
C5 | C6 | O6 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H62 | 117.5° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 98.8° | 64.5° |
O5 | C5 | C6 | H61 | 26.5° | 55.5° |
O5 | C5 | C6 | H62 | 135.9° | 175.5° |
H5 | C5 | C6 | O6 | 138.9° | 55.0° |
H5 | C5 | C6 | H61 | 95.9° | 175.0° |
H5 | C5 | C6 | H62 | 13.6° | 65.0° |
O6 | C6 | H61 | H62 | 117.6° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.8° | 60.0° |