YYK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.56Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.40Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å | |
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 | O5 | 109.5° | 109.4° |
C2 | C1 | O1 | 111.4° | 109.5° |
C2 | C1 | H1 | 109.4° | 109.5° |
C1 | C2 | C3 | 110.3° | 109.2° |
C1 | C2 | O2 | 118.4° | 109.5° |
C1 | C2 | H2 | 106.4° | 109.5° |
O5 | C1 | O1 | 105.1° | 109.5° |
O5 | C1 | H1 | 110.5° | 109.5° |
C1 | O5 | C5 | 111.6° | 114.0° |
O1 | C1 | H1 | 110.8° | 109.4° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C3 | C2 | O2 | 107.4° | 109.5° |
C3 | C2 | H2 | 106.3° | 109.5° |
C2 | C3 | C4 | 109.6° | 109.1° |
C2 | C3 | O3 | 111.3° | 109.5° |
C2 | C3 | H3 | 110.0° | 109.5° |
O2 | C2 | H2 | 107.5° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C4 | C3 | O3 | 105.4° | 109.6° |
C4 | C3 | H3 | 109.4° | 109.5° |
C3 | C4 | C5 | 110.8° | 109.1° |
C3 | C4 | O4 | 115.1° | 109.5° |
C3 | C4 | H4 | 106.7° | 109.6° |
O3 | C3 | H3 | 111.1° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | O4 | 108.6° | 109.5° |
C5 | C4 | H4 | 106.8° | 109.5° |
C4 | C5 | O5 | 104.5° | 109.4° |
C4 | C5 | H5 | 111.7° | 109.5° |
C4 | C5 | C6 | 113.5° | 109.5° |
O4 | C4 | H4 | 108.6° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O5 | C5 | H5 | 113.5° | 109.5° |
O5 | C5 | C6 | 101.3° | 109.4° |
H5 | C5 | C6 | 111.7° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.4° |
C5 | C6 | H62 | 109.5° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.4° |
H61 | C6 | H62 | 109.5° | 109.5° |
H61 | C6 | H63 | 109.5° | 109.5° |
H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | O1 | 119.8° | 120.0° |
C2 | C1 | O5 | H1 | 120.6° | 120.0° |
C2 | C1 | O1 | H1 | 122.1° | 120.0° |
C1 | C2 | C3 | O2 | 130.3° | 119.9° |
C1 | C2 | C3 | H2 | 114.9° | 119.8° |
C1 | C2 | O2 | H2 | 120.4° | 120.1° |
C1 | C2 | C3 | C4 | 50.3° | 57.0° |
C1 | C2 | C3 | O3 | 166.5° | 176.8° |
C1 | C2 | C3 | H3 | 70.0° | 62.9° |
C2 | C1 | O5 | C5 | 68.7° | 61.2° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O5 | C1 | O1 | H1 | 119.4° | 120.0° |
O5 | C1 | C2 | C3 | 56.9° | 57.6° |
O5 | C1 | C2 | O2 | 178.9° | 177.5° |
O5 | C1 | C2 | H2 | 57.9° | 62.2° |
C1 | O5 | C5 | C4 | 68.5° | 61.2° |
C1 | O5 | C5 | H5 | 53.4° | 58.8° |
C1 | O5 | C5 | C6 | 173.3° | 178.9° |
O5 | C1 | O1 | HO1 | 61.5° | 60.1° |
O1 | C1 | C2 | C3 | 172.8° | 177.6° |
O1 | C1 | C2 | O2 | 63.0° | 62.5° |
O1 | C1 | C2 | H2 | 58.0° | 57.7° |
O1 | C1 | O5 | C5 | 171.5° | 178.9° |
H1 | C1 | C2 | C3 | 64.4° | 62.4° |
H1 | C1 | C2 | O2 | 59.8° | 57.5° |
H1 | C1 | C2 | H2 | 179.2° | 177.7° |
H1 | C1 | O5 | C5 | 52.0° | 58.9° |
H1 | C1 | O1 | HO1 | 57.9° | 60.0° |
C3 | C2 | O2 | H2 | 114.0° | 120.1° |
C2 | C3 | C4 | O3 | 119.9° | 119.9° |
C2 | C3 | C4 | H3 | 120.6° | 119.9° |
C2 | C3 | O3 | H3 | 122.9° | 120.2° |
C2 | C3 | C4 | C5 | 53.5° | 57.0° |
C2 | C3 | C4 | O4 | 177.2° | 176.9° |
C2 | C3 | C4 | H4 | 62.4° | 62.9° |
C3 | C2 | O2 | HO2 | 54.4° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 179.3° | 176.9° |
O2 | C2 | C3 | O3 | 63.2° | 63.2° |
O2 | C2 | C3 | H3 | 60.3° | 57.0° |
H2 | C2 | C3 | C4 | 64.5° | 62.9° |
H2 | C2 | C3 | O3 | 51.6° | 57.0° |
H2 | C2 | C3 | H3 | 175.1° | 177.3° |
H2 | C2 | O2 | HO2 | 59.6° | 60.1° |
C4 | C3 | O3 | H3 | 118.4° | 120.2° |
C3 | C4 | C5 | O4 | 127.3° | 119.9° |
C3 | C4 | C5 | H4 | 115.8° | 119.9° |
C3 | C4 | O4 | H4 | 119.4° | 120.2° |
C3 | C4 | C5 | O5 | 60.3° | 57.6° |
C3 | C4 | C5 | H5 | 62.9° | 62.4° |
C3 | C4 | C5 | C6 | 169.8° | 177.6° |
C4 | C3 | O3 | HO3 | 61.3° | 179.6° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
O3 | C3 | C4 | C5 | 173.4° | 176.8° |
O3 | C3 | C4 | O4 | 62.9° | 63.2° |
O3 | C3 | C4 | H4 | 57.5° | 57.0° |
H3 | C3 | C4 | C5 | 67.1° | 62.9° |
H3 | C3 | C4 | O4 | 56.5° | 57.0° |
H3 | C3 | C4 | H4 | 177.0° | 177.2° |
H3 | C3 | O3 | HO3 | 57.1° | 60.2° |
C5 | C4 | O4 | H4 | 115.8° | 120.1° |
C4 | C5 | O5 | H5 | 121.9° | 120.0° |
C4 | C5 | O5 | C6 | 118.1° | 120.0° |
C4 | C5 | H5 | C6 | 128.3° | 120.0° |
C4 | C5 | C6 | H61 | 180.0° | 60.0° |
C4 | C5 | C6 | H62 | 60.0° | 180.0° |
C4 | C5 | C6 | H63 | 60.0° | 60.0° |
C5 | C4 | O4 | HO4 | 55.2° | 60.3° |
O4 | C4 | C5 | O5 | 172.4° | 177.5° |
O4 | C4 | C5 | H5 | 64.4° | 57.5° |
O4 | C4 | C5 | C6 | 62.9° | 62.5° |
H4 | C4 | C5 | O5 | 55.5° | 62.3° |
H4 | C4 | C5 | H5 | 178.6° | 177.7° |
H4 | C4 | C5 | C6 | 54.0° | 57.7° |
H4 | C4 | O4 | HO4 | 60.6° | 59.8° |
O5 | C5 | H5 | C6 | 113.8° | 120.0° |
O5 | C5 | C6 | H61 | 68.6° | 60.0° |
O5 | C5 | C6 | H62 | 171.5° | 60.0° |
O5 | C5 | C6 | H63 | 51.4° | 179.9° |
H5 | C5 | C6 | H61 | 52.6° | 180.0° |
H5 | C5 | C6 | H62 | 67.4° | 60.0° |
H5 | C5 | C6 | H63 | 172.6° | 60.0° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |