Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | O5 | sing | 1.43Å | 1.49Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.49Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.50Å | 1.55Å | |
C3 | O3 | sing | 1.43Å | 1.49Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | doub | 1.34Å | 1.52Å | |
C4 | O4 | sing | 1.35Å | 62.01Å | |
C5 | C6 | sing | 1.46Å | 1.51Å | |
C5 | O5 | sing | 1.36Å | 1.50Å | |
C6 | O6A | doub | 1.22Å | 1.25Å | |
C6 | O6B | sing | 1.35Å | 1.24Å | |
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 | |
O6B | HOB | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 111.2° | 109.7° |
C2 | C1 | O5 | 112.3° | 108.4° |
C2 | C1 | H1 | 107.8° | 109.7° |
C1 | C2 | C3 | 120.6° | 108.3° |
C1 | C2 | O2 | 109.5° | 109.7° |
C1 | C2 | H2 | 101.7° | 109.7° |
O1 | C1 | O5 | 113.6° | 109.7° |
O1 | C1 | H1 | 106.3° | 109.7° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O5 | C1 | H1 | 105.0° | 109.7° |
C1 | O5 | C5 | 118.5° | 117.5° |
C3 | C2 | O2 | 111.0° | 109.7° |
C3 | C2 | H2 | 99.9° | 109.7° |
C2 | C3 | C4 | 118.0° | 109.5° |
C2 | C3 | O3 | 103.6° | 109.5° |
C2 | C3 | H3 | 106.5° | 109.5° |
O2 | C2 | H2 | 113.5° | 109.7° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C4 | C3 | O3 | 104.9° | 109.5° |
C4 | C3 | H3 | 105.2° | 109.5° |
C3 | C4 | C5 | 117.2° | 122.1° |
C3 | C4 | O4 | 23.3° | 118.9° |
O3 | C3 | H3 | 119.3° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.1° |
C5 | C4 | O4 | 134.5° | 118.9° |
C4 | C5 | C6 | 116.9° | 118.6° |
C4 | C5 | O5 | 118.7° | 122.8° |
C4 | O4 | HO4 | 23.4° | 114.0° |
C6 | C5 | O5 | 124.1° | 118.6° |
C5 | C6 | O6A | 114.2° | 120.1° |
C5 | C6 | O6B | 118.3° | 120.0° |
O6A | C6 | O6B | 126.1° | 120.0° |
C6 | O6B | HOB | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 127.9° | 118.9° |
C2 | C1 | O1 | H1 | 117.1° | 120.5° |
C2 | C1 | O5 | H1 | 116.9° | 119.7° |
C1 | C2 | C3 | O2 | 129.9° | 119.7° |
C1 | C2 | C3 | H2 | 110.1° | 119.7° |
C1 | C2 | O2 | H2 | 112.9° | 120.5° |
C1 | C2 | C3 | C4 | 16.4° | 47.4° |
C1 | C2 | C3 | O3 | 99.0° | 167.4° |
C1 | C2 | C3 | H3 | 134.4° | 72.6° |
C2 | C1 | O5 | C5 | 43.6° | 48.0° |
C2 | C1 | O1 | HO1 | 64.8° | 180.0° |
C1 | C2 | O2 | HO2 | 60.7° | 60.0° |
O1 | C1 | O5 | H1 | 115.7° | 120.5° |
O1 | C1 | C2 | C3 | 95.2° | 176.9° |
O1 | C1 | C2 | O2 | 134.2° | 57.1° |
O1 | C1 | C2 | H2 | 13.8° | 63.5° |
O1 | C1 | O5 | C5 | 83.7° | 167.8° |
O5 | C1 | C2 | C3 | 33.4° | 63.4° |
O5 | C1 | C2 | O2 | 97.2° | 176.9° |
O5 | C1 | C2 | H2 | 142.5° | 56.3° |
C1 | O5 | C5 | C4 | 37.3° | 16.7° |
C1 | O5 | C5 | C6 | 149.6° | 163.3° |
O5 | C1 | O1 | HO1 | 167.2° | 61.0° |
H1 | C1 | C2 | C3 | 148.6° | 56.4° |
H1 | C1 | C2 | O2 | 18.0° | 63.4° |
H1 | C1 | C2 | H2 | 102.3° | 176.1° |
H1 | C1 | O5 | C5 | 160.5° | 71.7° |
H1 | C1 | O1 | HO1 | 52.2° | 59.5° |
C3 | C2 | O2 | H2 | 111.5° | 120.6° |
C2 | C3 | C4 | O3 | 114.7° | 120.0° |
C2 | C3 | C4 | H3 | 118.6° | 120.0° |
C2 | C3 | O3 | H3 | 118.1° | 120.0° |
C2 | C3 | C4 | C5 | 7.6° | 17.6° |
C2 | C3 | C4 | O4 | 150.7° | 162.5° |
C3 | C2 | O2 | HO2 | 74.9° | 178.9° |
C2 | C3 | O3 | HO3 | 51.8° | 180.0° |
O2 | C2 | C3 | C4 | 113.5° | 167.2° |
O2 | C2 | C3 | O3 | 131.1° | 72.8° |
O2 | C2 | C3 | H3 | 4.4° | 47.2° |
H2 | C2 | C3 | C4 | 126.5° | 72.3° |
H2 | C2 | C3 | O3 | 11.1° | 47.7° |
H2 | C2 | C3 | H3 | 115.6° | 167.8° |
H2 | C2 | O2 | HO2 | 173.5° | 60.6° |
C4 | C3 | O3 | H3 | 117.5° | 120.0° |
C3 | C4 | C5 | O4 | 19.5° | 179.9° |
C3 | C4 | C5 | C6 | 168.8° | 179.6° |
C3 | C4 | C5 | O5 | 17.6° | 0.4° |
C4 | C3 | O3 | HO3 | 176.2° | 60.0° |
C3 | C4 | O4 | HO4 | 179.9° | 174.9° |
O3 | C3 | C4 | C5 | 107.0° | 137.6° |
O3 | C3 | C4 | O4 | 36.1° | 42.4° |
H3 | C3 | C4 | C5 | 126.3° | 102.4° |
H3 | C3 | C4 | O4 | 90.6° | 77.5° |
H3 | C3 | O3 | HO3 | 66.3° | 60.0° |
C4 | C5 | C6 | O5 | 173.2° | 180.0° |
C4 | C5 | C6 | O6A | 124.2° | 93.2° |
C4 | C5 | C6 | O6B | 43.6° | 86.8° |
C5 | C4 | O4 | HO4 | 131.4° | 5.1° |
O4 | C4 | C5 | C6 | 149.3° | 0.3° |
O4 | C4 | C5 | O5 | 37.1° | 179.7° |
C5 | C6 | O6A | O6B | 166.6° | 180.0° |
C5 | C6 | O6B | HOB | 166.1° | 180.0° |
O5 | C5 | C6 | O6A | 49.0° | 86.8° |
O5 | C5 | C6 | O6B | 143.3° | 93.2° |
O6A | C6 | O6B | HOB | 0.0° | 0.0° |