Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O11 | doub | 1.21Å | 1.26Å | |
| C1 | O12 | sing | 1.34Å | 1.26Å | |
| C2 | O1P | sing | 1.43Å | 1.43Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| P | O1P | sing | 1.61Å | 1.59Å | |
| P | O2P | doub | 1.48Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.48Å | |
| P | O4P | sing | 1.61Å | 1.60Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O4P | HOP4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O11 | 119.3° | 120.0° |
| C2 | C1 | O12 | 117.7° | 120.0° |
| C1 | C2 | O1P | 114.5° | 109.5° |
| C1 | C2 | H21 | 106.7° | 109.5° |
| C1 | C2 | H22 | 106.8° | 109.5° |
| O11 | C1 | O12 | 122.8° | 120.0° |
| C1 | O12 | H12 | 117.7° | 119.9° |
| O1P | C2 | H21 | 107.7° | 109.5° |
| O1P | C2 | H22 | 111.9° | 109.4° |
| C2 | O1P | P | 124.7° | 106.9° |
| H21 | C2 | H22 | 109.0° | 109.4° |
| O1P | P | O2P | 111.3° | 109.4° |
| O1P | P | O3P | 108.1° | 109.5° |
| O1P | P | O4P | 99.1° | 109.5° |
| O2P | P | O3P | 117.0° | 109.5° |
| O2P | P | O4P | 109.9° | 109.4° |
| O3P | P | O4P | 110.0° | 109.5° |
| P | O3P | HOP3 | 108.2° | 106.9° |
| P | O4P | HOP4 | 99.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O11 | O12 | 175.9° | 179.9° |
| C1 | C2 | O1P | H21 | 118.5° | 120.1° |
| C1 | C2 | O1P | H22 | 121.7° | 120.0° |
| C1 | C2 | H21 | H22 | 115.0° | 120.0° |
| C1 | C2 | O1P | P | 104.4° | 180.0° |
| C2 | C1 | O12 | H12 | 180.0° | 180.0° |
| O11 | C1 | C2 | O1P | 41.5° | 0.1° |
| O11 | C1 | C2 | H21 | 77.5° | 120.0° |
| O11 | C1 | C2 | H22 | 166.0° | 120.0° |
| O11 | C1 | O12 | H12 | 4.0° | 0.1° |
| O12 | C1 | C2 | O1P | 142.3° | 180.0° |
| O12 | C1 | C2 | H21 | 98.6° | 59.9° |
| O12 | C1 | C2 | H22 | 17.8° | 60.1° |
| O1P | C2 | H21 | H22 | 121.6° | 119.9° |
| C2 | O1P | P | O2P | 42.5° | 60.0° |
| C2 | O1P | P | O3P | 172.3° | 180.0° |
| C2 | O1P | P | O4P | 73.0° | 59.9° |
| H21 | C2 | O1P | P | 137.1° | 59.9° |
| H22 | C2 | O1P | P | 17.4° | 60.0° |
| O1P | P | O2P | O3P | 125.0° | 120.0° |
| O1P | P | O2P | O4P | 108.8° | 120.0° |
| O1P | P | O3P | O4P | 107.3° | 120.1° |
| O1P | P | O3P | HOP3 | 179.9° | 179.9° |
| O1P | P | O4P | HOP4 | 180.0° | 60.1° |
| O2P | P | O3P | O4P | 126.2° | 120.0° |
| O2P | P | O3P | HOP3 | 53.4° | 60.0° |
| O2P | P | O4P | HOP4 | 63.3° | 180.0° |
| O3P | P | O4P | HOP4 | 66.8° | 60.0° |
| O4P | P | O3P | HOP3 | 72.8° | 60.0° |
