48X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | doub | 1.48Å | 1.51Å | |
| O4P | P | sing | 1.61Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O1P | sing | 1.61Å | 1.59Å | |
| O1P | C3 | sing | 1.43Å | 1.41Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O2 | doub | 1.21Å | 1.26Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O4P | H2 | sing | 0.97Å | 0.95Å | |
| O2P | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3P | P | O4P | 110.2° | 109.5° |
| O3P | P | O2P | 107.2° | 109.5° |
| O3P | P | O1P | 110.8° | 109.5° |
| O4P | P | O2P | 109.9° | 109.5° |
| O4P | P | O1P | 107.9° | 109.5° |
| P | O4P | H2 | 109.5° | 114.0° |
| O2P | P | O1P | 110.7° | 109.5° |
| P | O2P | H3 | 109.5° | 114.0° |
| P | O1P | C3 | 118.9° | 123.0° |
| O1P | C3 | C2 | 111.0° | 109.5° |
| O1P | C3 | H4 | 109.1° | 109.5° |
| O1P | C3 | H5 | 109.1° | 109.5° |
| C3 | C2 | C1 | 106.5° | 109.5° |
| C2 | C3 | H4 | 109.1° | 109.5° |
| C2 | C3 | H5 | 109.1° | 109.5° |
| C3 | C2 | H6 | 110.2° | 109.5° |
| C3 | C2 | H7 | 110.2° | 109.5° |
| C2 | C1 | O2 | 120.5° | 120.0° |
| C2 | C1 | O1 | 120.5° | 120.0° |
| C1 | C2 | H6 | 110.2° | 109.5° |
| C1 | C2 | H7 | 110.2° | 109.5° |
| O2 | C1 | O1 | 119.0° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C2 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O4P | O2P | 118.0° | 120.0° |
| O3P | P | O4P | O1P | 121.2° | 120.0° |
| O3P | P | O2P | O1P | 121.0° | 120.0° |
| O3P | P | O1P | C3 | 168.5° | 55.0° |
| O3P | P | O4P | H2 | 0.0° | 60.0° |
| O3P | P | O2P | H3 | 0.0° | 180.0° |
| O4P | P | O2P | O1P | 119.2° | 120.0° |
| O4P | P | O1P | C3 | 47.7° | 175.0° |
| O4P | P | O2P | H3 | 119.8° | 60.0° |
| O2P | P | O1P | C3 | 72.6° | 65.0° |
| O2P | P | O4P | H2 | 118.0° | 60.0° |
| P | O1P | C3 | C2 | 91.3° | 180.0° |
| O1P | P | O4P | H2 | 121.2° | 180.0° |
| O1P | P | O2P | H3 | 121.0° | 60.0° |
| P | O1P | C3 | H4 | 148.5° | 60.0° |
| P | O1P | C3 | H5 | 29.0° | 60.0° |
| O1P | C3 | C2 | H4 | 120.2° | 120.0° |
| O1P | C3 | C2 | H5 | 120.2° | 120.0° |
| O1P | C3 | C2 | C1 | 159.6° | 180.0° |
| O1P | C3 | H4 | H5 | 119.3° | 120.0° |
| O1P | C3 | C2 | H6 | 40.0° | 60.0° |
| O1P | C3 | C2 | H7 | 80.9° | 60.0° |
| C3 | C2 | C1 | H6 | 119.5° | 120.0° |
| C3 | C2 | C1 | H7 | 119.5° | 120.1° |
| C3 | C2 | C1 | O2 | 96.6° | 0.0° |
| C3 | C2 | C1 | O1 | 82.4° | 180.0° |
| C2 | C3 | H4 | H5 | 119.3° | 120.0° |
| C3 | C2 | H6 | H7 | 121.4° | 120.0° |
| C2 | C1 | O2 | O1 | 179.1° | 180.0° |
| C2 | C1 | O1 | H1 | 179.0° | 180.0° |
| C1 | C2 | C3 | H4 | 80.2° | 60.0° |
| C1 | C2 | C3 | H5 | 39.3° | 60.0° |
| C1 | C2 | H6 | H7 | 121.4° | 120.0° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| O2 | C1 | C2 | H6 | 22.9° | 120.0° |
| O2 | C1 | C2 | H7 | 143.8° | 120.0° |
| O1 | C1 | C2 | H6 | 158.1° | 60.0° |
| O1 | C1 | C2 | H7 | 37.1° | 59.9° |
| H4 | C3 | C2 | H6 | 160.2° | NaN° |
| H4 | C3 | C2 | H7 | 39.3° | 60.0° |
| H5 | C3 | C2 | H6 | 80.2° | 60.0° |
| H5 | C3 | C2 | H7 | 158.8° | 180.0° |
