Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O9 | P | sing | 1.61Å | 1.51Å | |
P | O2 | doub | 1.48Å | 1.50Å | |
P | O8 | sing | 1.61Å | 1.51Å | |
P | O1 | sing | 1.61Å | 1.49Å | |
O6 | C6 | sing | 1.43Å | 1.44Å | |
C6 | C5 | sing | 1.53Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
O5 | C1 | sing | 1.43Å | 1.43Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C3 | sing | 1.53Å | 1.51Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C2 | N2 | sing | 1.47Å | 1.45Å | |
O9 | H9 | sing | 0.97Å | 0.95Å | |
O8 | H8 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
N2 | HN21 | sing | 1.01Å | 1.00Å | |
N2 | HN22 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O9 | P | O2 | 111.0° | 109.5° |
O9 | P | O8 | 110.1° | 109.5° |
O9 | P | O1 | 101.9° | 109.4° |
P | O9 | H9 | 109.5° | 114.0° |
O2 | P | O8 | 110.3° | 109.5° |
O2 | P | O1 | 109.7° | 109.5° |
O8 | P | O1 | 113.5° | 109.5° |
P | O8 | H8 | 109.5° | 114.0° |
P | O1 | C1 | 126.7° | 123.0° |
O6 | C6 | C5 | 105.9° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
O6 | C6 | H61 | 110.3° | 109.5° |
O6 | C6 | H62 | 110.4° | 109.5° |
C6 | C5 | O5 | 107.8° | 109.5° |
C6 | C5 | C4 | 110.0° | 109.5° |
C5 | C6 | H61 | 110.3° | 109.4° |
C5 | C6 | H62 | 110.3° | 109.4° |
C6 | C5 | H5 | 109.4° | 109.4° |
O5 | C5 | C4 | 110.0° | 109.4° |
C5 | O5 | C1 | 115.4° | 114.1° |
O5 | C5 | H5 | 110.5° | 109.5° |
C5 | C4 | O4 | 110.0° | 109.5° |
C5 | C4 | C3 | 109.8° | 109.1° |
C4 | C5 | H5 | 109.2° | 109.5° |
C5 | C4 | H4 | 108.1° | 109.5° |
O5 | C1 | O1 | 112.2° | 109.5° |
O5 | C1 | C2 | 107.8° | 109.4° |
O5 | C1 | H1 | 108.7° | 109.5° |
O1 | C1 | C2 | 112.1° | 109.5° |
O1 | C1 | H1 | 108.5° | 109.5° |
C1 | C2 | C3 | 113.0° | 109.2° |
C1 | C2 | N2 | 110.0° | 109.5° |
C2 | C1 | H1 | 107.5° | 109.5° |
C1 | C2 | H2 | 108.1° | 109.6° |
O4 | C4 | C3 | 111.3° | 109.5° |
O4 | C4 | H4 | 109.3° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C3 | O3 | 107.3° | 109.5° |
C4 | C3 | C2 | 112.2° | 109.0° |
C3 | C4 | H4 | 108.3° | 109.6° |
C4 | C3 | H3 | 109.3° | 109.6° |
O3 | C3 | C2 | 108.5° | 109.6° |
O3 | C3 | H3 | 110.4° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C2 | N2 | 108.6° | 109.5° |
C3 | C2 | H2 | 108.0° | 109.5° |
C2 | C3 | H3 | 109.1° | 109.6° |
N2 | C2 | H2 | 109.1° | 109.5° |
C2 | N2 | HN21 | 109.5° | 111.0° |
C2 | N2 | HN22 | 109.5° | 111.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
HN21 | N2 | HN22 | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O9 | P | O2 | O8 | 122.4° | 120.0° |
O9 | P | O2 | O1 | 111.9° | 120.0° |
O9 | P | O8 | O1 | 113.5° | 119.9° |
O9 | P | O1 | C1 | 146.0° | 175.0° |
O9 | P | O8 | H8 | 122.9° | 60.0° |
O2 | P | O8 | O1 | 123.6° | 120.0° |
O2 | P | O1 | C1 | 96.3° | 55.0° |
O2 | P | O9 | H9 | 0.0° | 60.0° |
O2 | P | O8 | H8 | 0.0° | 180.0° |
O8 | P | O1 | C1 | 27.6° | 65.0° |
O8 | P | O9 | H9 | 122.5° | 60.0° |
P | O1 | C1 | O5 | 84.8° | 90.0° |
P | O1 | C1 | C2 | 153.8° | 150.1° |
O1 | P | O9 | H9 | 116.8° | 180.0° |
O1 | P | O8 | H8 | 123.6° | 60.0° |
P | O1 | C1 | H1 | 35.3° | 30.0° |
O6 | C6 | C5 | H61 | 119.4° | 120.1° |
O6 | C6 | C5 | H62 | 119.5° | 120.0° |
O6 | C6 | C5 | O5 | 62.2° | 65.0° |
O6 | C6 | C5 | C4 | 57.7° | 175.0° |
O6 | C6 | H61 | H62 | 121.7° | 120.0° |
O6 | C6 | C5 | H5 | 177.7° | 55.0° |
C6 | C5 | O5 | C4 | 120.0° | 120.0° |
C6 | C5 | O5 | H5 | 119.4° | 120.0° |
C6 | C5 | C4 | H5 | 120.1° | 120.0° |
C6 | C5 | O5 | C1 | 176.9° | 178.8° |
C6 | C5 | C4 | O4 | 63.8° | 62.5° |
C6 | C5 | C4 | C3 | 173.4° | 177.6° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
C5 | C6 | H61 | H62 | 121.6° | 119.9° |
C6 | C5 | C4 | H4 | 55.5° | 57.7° |
O5 | C5 | C4 | H5 | 121.4° | 120.0° |
C5 | O5 | C1 | O1 | 63.8° | 58.8° |
C5 | O5 | C1 | C2 | 60.0° | 61.1° |
O5 | C5 | C4 | O4 | 177.6° | 177.5° |
O5 | C5 | C4 | C3 | 54.8° | 57.6° |
O5 | C5 | C6 | H61 | 178.4° | 55.1° |
O5 | C5 | C6 | H62 | 57.3° | 175.0° |
O5 | C5 | C4 | H4 | 63.1° | 62.3° |
C5 | O5 | C1 | H1 | 176.2° | 178.8° |
C4 | C5 | O5 | C1 | 63.1° | 61.1° |
C5 | C4 | O4 | C3 | 121.9° | 119.7° |
C5 | C4 | O4 | H4 | 118.5° | 120.1° |
C5 | C4 | C3 | H4 | 117.8° | 119.9° |
C5 | C4 | C3 | O3 | 168.8° | 176.8° |
C5 | C4 | C3 | C2 | 49.7° | 56.9° |
C4 | C5 | C6 | H61 | 61.7° | 64.9° |
C4 | C5 | C6 | H62 | 177.2° | 55.0° |
C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
C5 | C4 | C3 | H3 | 71.5° | 63.0° |
O5 | C1 | O1 | C2 | 121.4° | 119.9° |
O5 | C1 | O1 | H1 | 120.1° | 120.0° |
O5 | C1 | C2 | H1 | 117.0° | 120.0° |
O5 | C1 | C2 | C3 | 51.6° | 57.6° |
O5 | C1 | C2 | N2 | 173.1° | 177.5° |
C1 | O5 | C5 | H5 | 57.5° | 58.9° |
O5 | C1 | C2 | H2 | 68.0° | 62.3° |
O1 | C1 | C2 | H1 | 119.1° | 120.1° |
O1 | C1 | C2 | C3 | 72.4° | 62.4° |
O1 | C1 | C2 | N2 | 49.2° | 57.5° |
O1 | C1 | C2 | H2 | 168.1° | 177.7° |
C1 | C2 | C3 | C4 | 49.6° | 57.0° |
C1 | C2 | C3 | O3 | 168.0° | 176.8° |
C1 | C2 | C3 | N2 | 122.3° | 119.9° |
C1 | C2 | C3 | H2 | 119.5° | 120.0° |
C1 | C2 | N2 | H2 | 118.4° | 120.2° |
C1 | C2 | C3 | H3 | 71.8° | 62.9° |
C1 | C2 | N2 | HN21 | 180.0° | 60.0° |
C1 | C2 | N2 | HN22 | 60.0° | 176.1° |
O4 | C4 | C3 | H4 | 120.1° | 120.2° |
O4 | C4 | C3 | O3 | 69.2° | 63.3° |
O4 | C4 | C3 | C2 | 171.7° | 176.8° |
O4 | C4 | C5 | H5 | 56.2° | 57.5° |
O4 | C4 | C3 | H3 | 50.5° | 56.9° |
C4 | C3 | O3 | C2 | 121.4° | 119.5° |
C4 | C3 | O3 | H3 | 119.1° | 120.2° |
C4 | C3 | C2 | H3 | 121.3° | 119.9° |
C4 | C3 | C2 | N2 | 171.9° | 176.9° |
C3 | C4 | C5 | H5 | 66.5° | 62.4° |
C4 | C3 | C2 | H2 | 70.0° | 63.0° |
C3 | C4 | O4 | HO4 | 58.1° | 179.7° |
C4 | C3 | O3 | HO3 | 180.0° | 60.0° |
O3 | C3 | C2 | H3 | 120.3° | 120.3° |
O3 | C3 | C2 | N2 | 69.8° | 63.2° |
O3 | C3 | C4 | H4 | 50.9° | 56.9° |
O3 | C3 | C2 | H2 | 48.4° | 56.9° |
C3 | C2 | N2 | H2 | 117.5° | 120.1° |
C2 | C3 | C4 | H4 | 68.1° | 62.9° |
C3 | C2 | C1 | H1 | 168.5° | 177.6° |
C2 | C3 | O3 | HO3 | 58.6° | 179.6° |
C3 | C2 | N2 | HN21 | 55.9° | 179.7° |
C3 | C2 | N2 | HN22 | 64.1° | 56.4° |
N2 | C2 | C1 | H1 | 70.0° | 62.5° |
N2 | C2 | C3 | H3 | 50.5° | 57.0° |
C2 | N2 | HN21 | HN22 | 120.0° | 124.0° |
HO6 | O6 | C6 | H61 | 60.6° | 60.0° |
HO6 | O6 | C6 | H62 | 60.6° | 60.0° |
H61 | C6 | C5 | H5 | 58.2° | 175.1° |
H62 | C6 | C5 | H5 | 62.9° | 65.0° |
H5 | C5 | C4 | H4 | 175.5° | 177.7° |
H4 | C4 | O4 | HO4 | 61.4° | 60.1° |
H4 | C4 | C3 | H3 | 170.7° | 177.1° |
H1 | C1 | C2 | H2 | 49.0° | 57.7° |
H2 | C2 | C3 | H3 | 168.7° | 177.1° |
H2 | C2 | N2 | HN21 | 61.6° | 60.2° |
H2 | C2 | N2 | HN22 | 178.4° | 63.7° |
H3 | C3 | O3 | HO3 | 60.9° | 60.2° |