DEZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OH2 | C1 | doub | 1.21Å | 1.25Å | |
C1 | OH1 | sing | 1.34Å | 1.25Å | |
C1 | C2 | sing | 1.51Å | 1.50Å | |
OH1 | HH1 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | HA | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
O3 | HB | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4C1 | sing | 1.09Å | 1.12Å | |
C4 | H4C2 | sing | 1.09Å | 1.12Å | |
O4 | P | sing | 1.61Å | 1.61Å | |
P | O1P | doub | 1.48Å | 1.50Å | |
P | O2P | sing | 1.61Å | 1.51Å | |
P | O3P | sing | 1.61Å | 1.51Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O3P | H3P | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OH2 | C1 | OH1 | 122.6° | 120.0° |
OH2 | C1 | C2 | 118.5° | 120.0° |
OH1 | C1 | C2 | 118.9° | 120.0° |
C1 | OH1 | HH1 | 122.6° | 120.0° |
C1 | C2 | O2 | 109.7° | 109.5° |
C1 | C2 | C3 | 110.0° | 109.4° |
C1 | C2 | H2 | 109.0° | 109.5° |
O2 | C2 | C3 | 110.0° | 109.5° |
O2 | C2 | H2 | 109.1° | 109.5° |
C2 | O2 | HA | 109.6° | 106.8° |
C3 | C2 | H2 | 109.1° | 109.5° |
C2 | C3 | O3 | 109.3° | 109.5° |
C2 | C3 | C4 | 111.5° | 109.5° |
C2 | C3 | H3 | 108.7° | 109.4° |
O3 | C3 | C4 | 109.9° | 109.5° |
O3 | C3 | H3 | 108.7° | 109.5° |
C3 | O3 | HB | 109.3° | 106.8° |
C4 | C3 | H3 | 108.6° | 109.5° |
C3 | C4 | O4 | 110.6° | 109.5° |
C3 | C4 | H4C1 | 111.8° | 109.5° |
C3 | C4 | H4C2 | 111.8° | 109.5° |
O4 | C4 | H4C1 | 111.8° | 109.4° |
O4 | C4 | H4C2 | 111.8° | 109.5° |
C4 | O4 | P | 122.3° | 106.8° |
H4C1 | C4 | H4C2 | 98.6° | 109.4° |
O4 | P | O1P | 105.8° | 109.4° |
O4 | P | O2P | 105.2° | 109.5° |
O4 | P | O3P | 103.4° | 109.5° |
O1P | P | O2P | 112.7° | 109.5° |
O1P | P | O3P | 114.4° | 109.5° |
O2P | P | O3P | 114.0° | 109.4° |
P | O2P | H2P | 105.2° | 106.8° |
P | O3P | H3P | 103.4° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OH2 | C1 | OH1 | C2 | 179.9° | 179.9° |
OH2 | C1 | OH1 | HH1 | 180.0° | 0.0° |
OH2 | C1 | C2 | O2 | 46.8° | 5.0° |
OH2 | C1 | C2 | C3 | 74.3° | 115.0° |
OH2 | C1 | C2 | H2 | 166.1° | 125.0° |
OH1 | C1 | C2 | O2 | 133.3° | 175.0° |
OH1 | C1 | C2 | C3 | 105.5° | 65.0° |
OH1 | C1 | C2 | H2 | 14.0° | 55.0° |
C2 | C1 | OH1 | HH1 | 0.1° | 180.0° |
C1 | C2 | O2 | C3 | 121.1° | 120.0° |
C1 | C2 | O2 | H2 | 119.3° | 120.0° |
C1 | C2 | C3 | H2 | 119.5° | 120.0° |
C1 | C2 | O2 | HA | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 65.1° | 60.0° |
C1 | C2 | C3 | C4 | 173.1° | 180.0° |
C1 | C2 | C3 | H3 | 53.4° | 60.0° |
O2 | C2 | C3 | H2 | 119.6° | 120.0° |
O2 | C2 | C3 | O3 | 174.0° | 180.0° |
O2 | C2 | C3 | C4 | 52.2° | 60.0° |
O2 | C2 | C3 | H3 | 67.5° | 60.0° |
C3 | C2 | O2 | HA | 58.9° | 60.0° |
C2 | C3 | O3 | C4 | 122.7° | 120.0° |
C2 | C3 | O3 | H3 | 118.5° | 119.9° |
C2 | C3 | C4 | H3 | 119.8° | 120.0° |
C2 | C3 | O3 | HB | 180.0° | 60.1° |
C2 | C3 | C4 | O4 | 169.4° | 175.0° |
C2 | C3 | C4 | H4C1 | 44.1° | 55.0° |
C2 | C3 | C4 | H4C2 | 65.4° | 65.0° |
H2 | C2 | O2 | HA | 60.7° | 179.9° |
H2 | C2 | C3 | O3 | 54.4° | 60.0° |
H2 | C2 | C3 | C4 | 67.4° | 60.1° |
H2 | C2 | C3 | H3 | 172.9° | 180.0° |
O3 | C3 | C4 | H3 | 118.8° | 120.0° |
O3 | C3 | C4 | O4 | 48.0° | 65.0° |
O3 | C3 | C4 | H4C1 | 77.3° | 175.0° |
O3 | C3 | C4 | H4C2 | 173.2° | 55.0° |
C4 | C3 | O3 | HB | 57.3° | 60.0° |
C3 | C4 | O4 | H4C1 | 125.3° | 120.0° |
C3 | C4 | O4 | H4C2 | 125.3° | 120.0° |
C3 | C4 | H4C1 | H4C2 | 117.7° | 120.0° |
C3 | C4 | O4 | P | 155.9° | 180.0° |
H3 | C3 | O3 | HB | 61.5° | 180.0° |
H3 | C3 | C4 | O4 | 70.8° | 55.0° |
H3 | C3 | C4 | H4C1 | 163.9° | 65.0° |
H3 | C3 | C4 | H4C2 | 54.4° | 175.0° |
O4 | C4 | H4C1 | H4C2 | 117.7° | 120.0° |
C4 | O4 | P | O1P | 86.5° | 55.0° |
C4 | O4 | P | O2P | 33.1° | 65.0° |
C4 | O4 | P | O3P | 152.9° | 175.0° |
H4C1 | C4 | O4 | P | 78.8° | 60.0° |
H4C2 | C4 | O4 | P | 30.6° | 59.9° |
O4 | P | O1P | O2P | 114.4° | 120.0° |
O4 | P | O1P | O3P | 113.1° | 120.0° |
O4 | P | O2P | O3P | 112.5° | 120.0° |
O4 | P | O2P | H2P | 180.0° | 60.0° |
O4 | P | O3P | H3P | 180.0° | 180.0° |
O1P | P | O2P | O3P | 132.6° | 120.0° |
O1P | P | O2P | H2P | 65.2° | 180.0° |
O1P | P | O3P | H3P | 65.4° | 60.0° |
O2P | P | O3P | H3P | 66.4° | 60.0° |
O3P | P | O2P | H2P | 67.5° | 60.0° |