Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.49Å | |
C1 | O5 | sing | 1.43Å | 1.53Å | |
C1 | O1 | sing | 1.43Å | 1.41Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.47Å | |
C2 | C3 | sing | 1.53Å | 1.58Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HB | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.50Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HC | sing | 0.97Å | 0.95Å | |
C4 | C5 | doub | 1.33Å | 1.36Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | O5 | sing | 1.35Å | 1.52Å | |
C5 | C6 | sing | 1.47Å | 1.51Å | |
C6 | O6A | sing | 1.35Å | 1.29Å | |
C6 | O6B | doub | 1.21Å | 1.28Å | |
O6A | H6A | sing | 0.97Å | 0.95Å | |
O1 | HA | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 105.8° | 108.3° |
C2 | C1 | O1 | 111.1° | 109.7° |
C2 | C1 | H1 | 110.9° | 109.7° |
C1 | C2 | O2 | 109.0° | 109.7° |
C1 | C2 | C3 | 106.4° | 108.3° |
C1 | C2 | H2 | 111.3° | 109.7° |
O5 | C1 | O1 | 106.4° | 109.7° |
O5 | C1 | H1 | 110.3° | 109.6° |
C1 | O5 | C5 | 115.5° | 117.6° |
O1 | C1 | H1 | 112.2° | 109.7° |
C1 | O1 | HA | 109.5° | 113.9° |
O2 | C2 | C3 | 108.4° | 109.7° |
O2 | C2 | H2 | 111.6° | 109.7° |
C2 | O2 | HB | 109.5° | 114.0° |
C3 | C2 | H2 | 110.0° | 109.7° |
C2 | C3 | O3 | 104.1° | 109.5° |
C2 | C3 | C4 | 119.2° | 109.4° |
C2 | C3 | H3 | 103.4° | 109.5° |
O3 | C3 | C4 | 119.4° | 109.5° |
O3 | C3 | H3 | 104.9° | 109.5° |
C3 | O3 | HC | 109.5° | 114.0° |
C4 | C3 | H3 | 103.8° | 109.5° |
C3 | C4 | C5 | 118.4° | 122.3° |
C3 | C4 | H4 | 120.8° | 118.9° |
C5 | C4 | H4 | 120.8° | 118.8° |
C4 | C5 | O5 | 118.8° | 123.0° |
C4 | C5 | C6 | 124.7° | 118.5° |
O5 | C5 | C6 | 116.5° | 118.5° |
C5 | C6 | O6A | 117.3° | 120.0° |
C5 | C6 | O6B | 111.6° | 120.1° |
O6A | C6 | O6B | 131.1° | 120.0° |
C6 | O6A | H6A | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | O1 | 118.2° | 119.7° |
C2 | C1 | O5 | H1 | 119.9° | 119.7° |
C2 | C1 | O1 | H1 | 124.7° | 120.6° |
C1 | C2 | O2 | C3 | 115.4° | 118.8° |
C1 | C2 | O2 | H2 | 123.3° | 120.6° |
C1 | C2 | C3 | H2 | 120.7° | 119.7° |
C1 | C2 | O2 | HB | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 175.0° | 167.2° |
C1 | C2 | C3 | C4 | 38.9° | 47.2° |
C1 | C2 | C3 | H3 | 75.5° | 72.8° |
C2 | C1 | O5 | C5 | 62.2° | 47.9° |
C2 | C1 | O1 | HA | 180.0° | 180.0° |
O5 | C1 | O1 | H1 | 120.7° | 120.5° |
O5 | C1 | C2 | O2 | 179.8° | 177.4° |
O5 | C1 | C2 | C3 | 63.5° | 63.0° |
O5 | C1 | C2 | H2 | 56.4° | 56.8° |
C1 | O5 | C5 | C4 | 27.2° | 16.7° |
C1 | O5 | C5 | C6 | 151.3° | 163.4° |
O5 | C1 | O1 | HA | 65.4° | 61.2° |
O1 | C1 | C2 | O2 | 64.8° | 57.6° |
O1 | C1 | C2 | C3 | 178.5° | 177.3° |
O1 | C1 | C2 | H2 | 58.6° | 63.0° |
O1 | C1 | O5 | C5 | 179.6° | 167.6° |
H1 | C1 | C2 | O2 | 60.6° | 63.0° |
H1 | C1 | C2 | C3 | 56.1° | 56.7° |
H1 | C1 | C2 | H2 | 176.0° | 176.4° |
H1 | C1 | O5 | C5 | 57.7° | 71.8° |
H1 | C1 | O1 | HA | 55.3° | 59.4° |
O2 | C2 | C3 | H2 | 122.3° | 120.6° |
O2 | C2 | C3 | O3 | 67.9° | 73.2° |
O2 | C2 | C3 | C4 | 156.0° | 166.9° |
O2 | C2 | C3 | H3 | 41.6° | 46.9° |
C3 | C2 | O2 | HB | 64.5° | 178.7° |
C2 | C3 | O3 | C4 | 136.0° | 119.9° |
C2 | C3 | O3 | H3 | 108.4° | 120.0° |
C2 | C3 | C4 | H3 | 114.2° | 120.0° |
C2 | C3 | O3 | HC | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 4.5° | 17.6° |
C2 | C3 | C4 | H4 | 175.4° | 162.4° |
H2 | C2 | O2 | HB | 56.8° | 60.6° |
H2 | C2 | C3 | O3 | 54.3° | 47.4° |
H2 | C2 | C3 | C4 | 81.8° | 72.5° |
H2 | C2 | C3 | H3 | 163.8° | 167.5° |
O3 | C3 | C4 | H3 | 116.3° | 120.1° |
O3 | C3 | C4 | C5 | 134.0° | 137.6° |
O3 | C3 | C4 | H4 | 46.0° | 42.5° |
C4 | C3 | O3 | HC | 44.0° | 60.1° |
C3 | C4 | C5 | H4 | 180.0° | 179.9° |
C3 | C4 | C5 | O5 | 1.9° | 0.5° |
C3 | C4 | C5 | C6 | 179.7° | 179.6° |
H3 | C3 | O3 | HC | 71.7° | 60.0° |
H3 | C3 | C4 | C5 | 109.7° | 102.4° |
H3 | C3 | C4 | H4 | 70.3° | 77.6° |
C4 | C5 | O5 | C6 | 178.5° | 179.9° |
C4 | C5 | C6 | O6A | 9.5° | 180.0° |
C4 | C5 | C6 | O6B | 170.6° | 0.1° |
H4 | C4 | C5 | O5 | 178.2° | 179.6° |
H4 | C4 | C5 | C6 | 0.3° | 0.4° |
O5 | C5 | C6 | O6A | 169.0° | 0.1° |
O5 | C5 | C6 | O6B | 10.9° | 180.0° |
C5 | C6 | O6A | O6B | 179.9° | 180.0° |
C5 | C6 | O6A | H6A | 179.9° | 180.0° |
O6B | C6 | O6A | H6A | 0.0° | 0.0° |