DO8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1B | sing | 1.34Å | 1.25Å | |
C1 | O1A | doub | 1.21Å | 1.28Å | |
C1 | C2 | sing | 1.51Å | 1.52Å | |
O1B | HO1B | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.53Å | 1.58Å | |
C2 | O6 | sing | 1.43Å | 1.50Å | |
C2 | O2 | sing | 1.43Å | 1.52Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C4 | O4 | sing | 1.43Å | 1.46Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.60Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C6 | O6 | sing | 1.43Å | 1.50Å | |
C6 | C7 | sing | 1.53Å | 1.65Å | |
C6 | H6 | sing | 1.09Å | 1.11Å | |
C7 | O7 | sing | 1.43Å | 1.47Å | |
C7 | C8 | sing | 1.53Å | 1.59Å | |
C7 | H7 | sing | 1.09Å | 1.11Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
C8 | O8 | sing | 1.43Å | 1.51Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.11Å | |
P1 | O2P | sing | 1.61Å | 1.71Å | |
P1 | O3P | sing | 1.61Å | 1.68Å | |
P1 | O8 | sing | 1.61Å | 1.75Å | |
P1 | O1P | doub | 1.48Å | 1.68Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1B | C1 | O1A | 118.7° | 120.0° |
O1B | C1 | C2 | 118.5° | 120.0° |
C1 | O1B | HO1B | 118.7° | 120.0° |
O1A | C1 | C2 | 122.8° | 120.0° |
C1 | C2 | C3 | 107.7° | 109.3° |
C1 | C2 | O6 | 105.1° | 109.4° |
C1 | C2 | O2 | 109.9° | 109.4° |
C3 | C2 | O6 | 115.5° | 109.8° |
C3 | C2 | O2 | 108.2° | 109.4° |
C2 | C3 | C4 | 108.5° | 109.0° |
C2 | C3 | H31 | 112.6° | 109.5° |
C2 | C3 | H32 | 112.6° | 109.6° |
O6 | C2 | O2 | 110.3° | 109.4° |
C2 | O6 | C6 | 113.6° | 107.6° |
C2 | O2 | HO2 | 109.8° | 106.8° |
C4 | C3 | H31 | 112.5° | 109.5° |
C4 | C3 | H32 | 112.5° | 109.6° |
C3 | C4 | O4 | 104.3° | 109.6° |
C3 | C4 | C5 | 110.7° | 108.6° |
C3 | C4 | H4 | 112.5° | 109.6° |
H31 | C3 | H32 | 97.9° | 109.6° |
O4 | C4 | C5 | 110.7° | 109.7° |
O4 | C4 | H4 | 112.4° | 109.6° |
C4 | O4 | HO4 | 104.3° | 106.8° |
C5 | C4 | H4 | 106.3° | 109.6° |
C4 | C5 | O5 | 110.7° | 109.5° |
C4 | C5 | C6 | 108.4° | 109.0° |
C4 | C5 | H5 | 110.3° | 109.6° |
O5 | C5 | C6 | 112.2° | 109.7° |
O5 | C5 | H5 | 106.4° | 109.6° |
C5 | O5 | HO5 | 110.7° | 106.8° |
C6 | C5 | H5 | 108.8° | 109.4° |
C5 | C6 | O6 | 111.7° | 109.7° |
C5 | C6 | C7 | 117.4° | 109.4° |
C5 | C6 | H6 | 100.3° | 109.4° |
O6 | C6 | C7 | 102.6° | 109.4° |
O6 | C6 | H6 | 115.7° | 109.5° |
C7 | C6 | H6 | 109.8° | 109.4° |
C6 | C7 | O7 | 147.5° | 109.5° |
C6 | C7 | C8 | 97.7° | 109.5° |
C6 | C7 | H7 | 92.4° | 109.5° |
O7 | C7 | C8 | 111.6° | 109.5° |
O7 | C7 | H7 | 67.5° | 109.5° |
C7 | O7 | HO7 | 147.5° | 106.8° |
C8 | C7 | H7 | 153.6° | 109.5° |
C7 | C8 | O8 | 107.3° | 109.5° |
C7 | C8 | H81 | 113.1° | 109.5° |
C7 | C8 | H82 | 113.1° | 109.5° |
O8 | C8 | H81 | 113.0° | 109.5° |
O8 | C8 | H82 | 113.0° | 109.4° |
C8 | O8 | P1 | 124.8° | 106.8° |
H81 | C8 | H82 | 97.4° | 109.5° |
O2P | P1 | O3P | 112.1° | 109.5° |
O2P | P1 | O8 | 108.6° | 109.5° |
O2P | P1 | O1P | 105.2° | 109.5° |
P1 | O2P | HOP2 | 112.0° | 106.8° |
O3P | P1 | O8 | 107.4° | 109.4° |
O3P | P1 | O1P | 110.3° | 109.4° |
P1 | O3P | HOP3 | 112.0° | 106.8° |
O8 | P1 | O1P | 113.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1B | C1 | O1A | C2 | 178.7° | 180.0° |
O1B | C1 | C2 | C3 | 28.6° | 55.3° |
O1B | C1 | C2 | O6 | 95.0° | 65.0° |
O1B | C1 | C2 | O2 | 146.3° | 175.1° |
O1A | C1 | O1B | HO1B | 180.0° | 0.0° |
O1A | C1 | C2 | C3 | 152.7° | 124.7° |
O1A | C1 | C2 | O6 | 83.7° | 115.0° |
O1A | C1 | C2 | O2 | 35.0° | 4.9° |
C2 | C1 | O1B | HO1B | 1.2° | 180.0° |
C1 | C2 | C3 | O6 | 117.1° | 120.1° |
C1 | C2 | C3 | O2 | 118.7° | 119.8° |
C1 | C2 | O6 | O2 | 118.4° | 119.9° |
C1 | C2 | C3 | C4 | 167.9° | 178.7° |
C1 | C2 | C3 | H31 | 66.8° | 58.9° |
C1 | C2 | C3 | H32 | 42.7° | 61.5° |
C1 | C2 | O6 | C6 | 165.4° | 172.4° |
C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
C3 | C2 | O6 | O2 | 123.1° | 120.1° |
C2 | C3 | C4 | H31 | 125.3° | 119.8° |
C2 | C3 | C4 | H32 | 125.3° | 119.9° |
C2 | C3 | H31 | H32 | 118.5° | 120.3° |
C2 | C3 | C4 | O4 | 178.4° | 173.6° |
C2 | C3 | C4 | C5 | 59.3° | 53.8° |
C2 | C3 | C4 | H4 | 59.5° | 66.0° |
C3 | C2 | O6 | C6 | 46.8° | 67.6° |
C3 | C2 | O2 | HO2 | 62.7° | 179.7° |
O6 | C2 | C3 | C4 | 50.8° | 61.3° |
O6 | C2 | C3 | H31 | 176.1° | 178.9° |
O6 | C2 | C3 | H32 | 74.4° | 58.6° |
C2 | O6 | C6 | C5 | 48.8° | 67.6° |
C2 | O6 | C6 | C7 | 175.4° | 172.3° |
C2 | O6 | C6 | H6 | 65.1° | 52.4° |
O6 | C2 | O2 | HO2 | 64.5° | 60.0° |
O2 | C2 | C3 | C4 | 73.3° | 58.8° |
O2 | C2 | C3 | H31 | 51.9° | 61.0° |
O2 | C2 | C3 | H32 | 161.4° | 178.7° |
O2 | C2 | O6 | C6 | 76.3° | 52.5° |
C4 | C3 | H31 | H32 | 118.5° | 120.2° |
C3 | C4 | O4 | C5 | 119.1° | 119.2° |
C3 | C4 | O4 | H4 | 122.2° | 120.4° |
C3 | C4 | C5 | H4 | 122.5° | 119.8° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | O5 | 60.4° | 66.2° |
C3 | C4 | C5 | C6 | 63.1° | 53.8° |
C3 | C4 | C5 | H5 | 177.9° | 173.5° |
H31 | C3 | C4 | O4 | 56.3° | 66.5° |
H31 | C3 | C4 | C5 | 175.4° | 173.6° |
H31 | C3 | C4 | H4 | 65.8° | 53.8° |
H32 | C3 | C4 | O4 | 53.1° | 53.7° |
H32 | C3 | C4 | C5 | 66.0° | 66.1° |
H32 | C3 | C4 | H4 | 175.3° | 174.1° |
O4 | C4 | C5 | H4 | 122.4° | 120.4° |
O4 | C4 | C5 | O5 | 54.8° | 53.6° |
O4 | C4 | C5 | C6 | 178.3° | 173.6° |
O4 | C4 | C5 | H5 | 62.7° | 66.6° |
C5 | C4 | O4 | HO4 | 60.9° | 179.2° |
C4 | C5 | O5 | C6 | 121.3° | 119.6° |
C4 | C5 | O5 | H5 | 119.9° | 120.2° |
C4 | C5 | C6 | H5 | 120.0° | 119.8° |
C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
C4 | C5 | C6 | O6 | 56.8° | 61.3° |
C4 | C5 | C6 | C7 | 174.8° | 178.6° |
C4 | C5 | C6 | H6 | 66.4° | 58.8° |
H4 | C4 | O4 | HO4 | 57.8° | 60.4° |
H4 | C4 | C5 | O5 | 177.1° | 174.0° |
H4 | C4 | C5 | C6 | 59.4° | 66.0° |
H4 | C4 | C5 | H5 | 59.6° | 53.8° |
O5 | C5 | C6 | H5 | 117.4° | 120.3° |
O5 | C5 | C6 | O6 | 65.8° | 58.6° |
O5 | C5 | C6 | C7 | 52.3° | 61.5° |
O5 | C5 | C6 | H6 | 171.1° | 178.7° |
C6 | C5 | O5 | HO5 | 58.7° | 179.6° |
C5 | C6 | O6 | C7 | 126.6° | 120.1° |
C5 | C6 | O6 | H6 | 113.9° | 120.1° |
C5 | C6 | C7 | H6 | 113.6° | 119.8° |
C5 | C6 | C7 | O7 | 98.2° | 59.9° |
C5 | C6 | C7 | C8 | 56.4° | 179.9° |
C5 | C6 | C7 | H7 | 148.0° | 60.1° |
H5 | C5 | O5 | HO5 | 60.1° | 60.2° |
H5 | C5 | C6 | O6 | 176.8° | 178.9° |
H5 | C5 | C6 | C7 | 65.2° | 58.8° |
H5 | C5 | C6 | H6 | 53.6° | 61.0° |
O6 | C6 | C7 | H6 | 123.5° | 119.9° |
O6 | C6 | C7 | O7 | 24.7° | 179.9° |
O6 | C6 | C7 | C8 | 179.3° | 59.9° |
O6 | C6 | C7 | H7 | 25.2° | 60.1° |
C6 | C7 | O7 | C8 | 152.8° | 120.0° |
C6 | C7 | O7 | H7 | 55.7° | 120.0° |
C6 | C7 | C8 | H7 | 111.5° | 120.0° |
C6 | C7 | O7 | HO7 | 179.9° | 60.0° |
C6 | C7 | C8 | O8 | 142.0° | 175.0° |
C6 | C7 | C8 | H81 | 16.8° | 55.0° |
C6 | C7 | C8 | H82 | 92.8° | 65.0° |
H6 | C6 | C7 | O7 | 148.2° | 60.0° |
H6 | C6 | C7 | C8 | 57.2° | 60.0° |
H6 | C6 | C7 | H7 | 98.4° | 180.0° |
O7 | C7 | C8 | H7 | 82.8° | 120.0° |
O7 | C7 | C8 | O8 | 52.3° | 65.0° |
O7 | C7 | C8 | H81 | 177.6° | 175.0° |
O7 | C7 | C8 | H82 | 72.9° | 55.0° |
C8 | C7 | O7 | HO7 | 27.1° | 60.0° |
C7 | C8 | O8 | H81 | 125.3° | 120.0° |
C7 | C8 | O8 | H82 | 125.3° | 120.0° |
C7 | C8 | H81 | H82 | 119.0° | 120.0° |
C7 | C8 | O8 | P1 | 45.0° | 180.0° |
H7 | C7 | O7 | HO7 | 124.4° | 180.0° |
H7 | C7 | C8 | O8 | 30.5° | 55.0° |
H7 | C7 | C8 | H81 | 94.7° | 65.0° |
H7 | C7 | C8 | H82 | 155.8° | 175.0° |
O8 | C8 | H81 | H82 | 118.9° | 120.0° |
C8 | O8 | P1 | O2P | 30.3° | 175.0° |
C8 | O8 | P1 | O3P | 91.0° | 65.0° |
C8 | O8 | P1 | O1P | 146.8° | 54.9° |
H81 | C8 | O8 | P1 | 170.3° | 60.0° |
H82 | C8 | O8 | P1 | 80.3° | 60.0° |
O2P | P1 | O3P | O8 | 119.2° | 120.0° |
O2P | P1 | O3P | O1P | 116.8° | 120.0° |
O2P | P1 | O8 | O1P | 116.5° | 120.1° |
O2P | P1 | O3P | HOP3 | 179.9° | 59.9° |
O3P | P1 | O8 | O1P | 122.1° | 119.9° |
O3P | P1 | O2P | HOP2 | 180.0° | 60.0° |
O8 | P1 | O2P | HOP2 | 61.6° | 180.0° |
O8 | P1 | O3P | HOP3 | 60.9° | 60.1° |
O1P | P1 | O2P | HOP2 | 60.1° | 60.0° |
O1P | P1 | O3P | HOP3 | 63.1° | 180.0° |