X1P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | P | sing | 1.61Å | 1.61Å | |
P | O1P | sing | 1.61Å | 1.51Å | |
P | O2P | sing | 1.61Å | 1.52Å | |
P | O3P | doub | 1.48Å | 1.51Å | |
O1P | HO1P | sing | 0.97Å | 0.95Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 112.1° | 109.3° |
O1 | C1 | O5 | 109.3° | 109.4° |
O1 | C1 | H1 | 107.6° | 109.5° |
C1 | O1 | P | 121.6° | 106.8° |
C2 | C1 | O5 | 108.7° | 109.8° |
C2 | C1 | H1 | 108.1° | 109.4° |
C1 | C2 | O2 | 111.5° | 109.5° |
C1 | C2 | C3 | 110.7° | 109.1° |
C1 | C2 | H2 | 107.6° | 109.6° |
O5 | C1 | H1 | 111.1° | 109.5° |
C1 | O5 | C5 | 113.2° | 107.6° |
O1 | P | O1P | 107.8° | 109.4° |
O1 | P | O2P | 109.7° | 109.5° |
O1 | P | O3P | 106.5° | 109.5° |
O1P | P | O2P | 110.9° | 109.5° |
O1P | P | O3P | 111.8° | 109.5° |
P | O1P | HO1P | 109.5° | 106.8° |
O2P | P | O3P | 110.0° | 109.5° |
P | O2P | HO2P | 109.5° | 106.8° |
O2 | C2 | C3 | 110.5° | 109.6° |
O2 | C2 | H2 | 107.7° | 109.5° |
C2 | O2 | HO2 | 109.5° | 106.8° |
C3 | C2 | H2 | 108.7° | 109.5° |
C2 | C3 | O3 | 110.0° | 109.6° |
C2 | C3 | C4 | 107.9° | 108.7° |
C2 | C3 | H3 | 111.5° | 109.6° |
O3 | C3 | C4 | 113.1° | 109.9° |
O3 | C3 | H3 | 106.1° | 109.5° |
C3 | O3 | HO3 | 109.5° | 106.8° |
C4 | C3 | H3 | 108.3° | 109.5° |
C3 | C4 | O4 | 112.4° | 109.6° |
C3 | C4 | C5 | 109.0° | 109.1° |
C3 | C4 | H4 | 107.3° | 109.6° |
O4 | C4 | C5 | 107.9° | 109.5° |
O4 | C4 | H4 | 108.4° | 109.5° |
C4 | O4 | HO4 | 109.5° | 106.8° |
C5 | C4 | H4 | 111.8° | 109.5° |
C4 | C5 | O5 | 112.7° | 109.8° |
C4 | C5 | H51 | 107.7° | 109.4° |
C4 | C5 | H52 | 108.4° | 109.4° |
O5 | C5 | H51 | 107.7° | 109.4° |
O5 | C5 | H52 | 108.4° | 109.5° |
H51 | C5 | H52 | 112.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 120.9° | 120.0° |
O1 | C1 | C2 | H1 | 118.4° | 119.8° |
O1 | C1 | O5 | H1 | 118.5° | 119.9° |
C1 | O1 | P | O1P | 64.6° | 65.0° |
C1 | O1 | P | O2P | 56.2° | 175.0° |
C1 | O1 | P | O3P | 175.2° | 55.0° |
O1 | C1 | C2 | O2 | 62.2° | 61.1° |
O1 | C1 | C2 | C3 | 61.3° | 58.8° |
O1 | C1 | C2 | H2 | 179.9° | 178.7° |
O1 | C1 | O5 | C5 | 64.2° | 52.4° |
C2 | C1 | O5 | H1 | 118.8° | 120.1° |
C2 | C1 | O1 | P | 100.6° | 149.7° |
C1 | C2 | O2 | C3 | 123.5° | 119.7° |
C1 | C2 | O2 | H2 | 117.9° | 120.2° |
C1 | C2 | C3 | H2 | 117.9° | 119.9° |
C1 | C2 | O2 | HO2 | 98.3° | 60.0° |
C1 | C2 | C3 | O3 | 177.2° | 173.7° |
C1 | C2 | C3 | C4 | 59.0° | 53.6° |
C1 | C2 | C3 | H3 | 59.7° | 66.1° |
C2 | C1 | O5 | C5 | 58.4° | 67.6° |
O5 | C1 | O1 | P | 138.8° | 90.0° |
O5 | C1 | C2 | O2 | 176.9° | 178.8° |
O5 | C1 | C2 | C3 | 59.7° | 61.2° |
O5 | C1 | C2 | H2 | 59.0° | 58.7° |
C1 | O5 | C5 | C4 | 58.0° | 67.6° |
C1 | O5 | C5 | H51 | 176.6° | 52.4° |
C1 | O5 | C5 | H52 | 62.0° | 172.3° |
H1 | C1 | O1 | P | 18.1° | 29.9° |
H1 | C1 | C2 | O2 | 56.2° | 58.7° |
H1 | C1 | C2 | C3 | 179.7° | 178.7° |
H1 | C1 | C2 | H2 | 61.7° | 61.5° |
H1 | C1 | O5 | C5 | 177.3° | 172.3° |
O1 | P | O1P | O2P | 120.1° | 120.0° |
O1 | P | O1P | O3P | 116.7° | 120.0° |
O1 | P | O2P | O3P | 116.8° | 120.0° |
O1 | P | O1P | HO1P | 19.6° | 60.0° |
O1 | P | O2P | HO2P | 169.4° | 180.0° |
O1P | P | O2P | O3P | 124.2° | 120.0° |
O1P | P | O2P | HO2P | 50.4° | 60.0° |
O2P | P | O1P | HO1P | 139.7° | 60.0° |
O3P | P | O1P | HO1P | 97.1° | 180.0° |
O3P | P | O2P | HO2P | 73.9° | 60.0° |
O2 | C2 | C3 | H2 | 118.0° | 120.2° |
O2 | C2 | C3 | O3 | 53.1° | 66.4° |
O2 | C2 | C3 | C4 | 176.9° | 173.5° |
O2 | C2 | C3 | H3 | 64.3° | 53.9° |
C3 | C2 | O2 | HO2 | 25.3° | 179.7° |
C2 | C3 | O3 | C4 | 120.7° | 119.3° |
C2 | C3 | O3 | H3 | 120.7° | 120.3° |
C2 | C3 | C4 | H3 | 120.8° | 119.7° |
C2 | C3 | O3 | HO3 | 151.5° | 180.0° |
C2 | C3 | C4 | O4 | 175.0° | 173.5° |
C2 | C3 | C4 | C5 | 55.5° | 53.6° |
C2 | C3 | C4 | H4 | 65.9° | 66.3° |
H2 | C2 | O2 | HO2 | 143.9° | 60.2° |
H2 | C2 | C3 | O3 | 64.9° | 53.8° |
H2 | C2 | C3 | C4 | 58.9° | 66.3° |
H2 | C2 | C3 | H3 | 177.7° | 174.0° |
O3 | C3 | C4 | H3 | 117.3° | 120.4° |
O3 | C3 | C4 | O4 | 63.1° | 66.6° |
O3 | C3 | C4 | C5 | 177.3° | 173.5° |
O3 | C3 | C4 | H4 | 56.0° | 53.6° |
C4 | C3 | O3 | HO3 | 30.8° | 60.6° |
C3 | C4 | O4 | C5 | 120.2° | 119.6° |
C3 | C4 | O4 | H4 | 118.5° | 120.3° |
C3 | C4 | C5 | H4 | 118.5° | 120.0° |
C3 | C4 | O4 | HO4 | 155.0° | 179.8° |
C3 | C4 | C5 | O5 | 55.5° | 61.2° |
C3 | C4 | C5 | H51 | 174.1° | 58.9° |
C3 | C4 | C5 | H52 | 64.5° | 178.7° |
H3 | C3 | O3 | HO3 | 87.8° | 59.7° |
H3 | C3 | C4 | O4 | 54.2° | 53.8° |
H3 | C3 | C4 | C5 | 65.4° | 66.1° |
H3 | C3 | C4 | H4 | 173.3° | 174.0° |
O4 | C4 | C5 | H4 | 119.2° | 120.1° |
O4 | C4 | C5 | O5 | 177.8° | 178.9° |
O4 | C4 | C5 | H51 | 63.6° | 61.1° |
O4 | C4 | C5 | H52 | 57.8° | 58.7° |
C5 | C4 | O4 | HO4 | 84.8° | 60.2° |
C4 | C5 | O5 | H51 | 118.6° | 120.0° |
C4 | C5 | O5 | H52 | 120.0° | 120.1° |
C4 | C5 | H51 | H52 | 119.1° | 119.8° |
H4 | C4 | O4 | HO4 | 36.5° | 60.0° |
H4 | C4 | C5 | O5 | 63.0° | 58.7° |
H4 | C4 | C5 | H51 | 55.6° | 178.8° |
H4 | C4 | C5 | H52 | 177.0° | 61.4° |
O5 | C5 | H51 | H52 | 119.1° | 119.9° |