RP3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.41Å | |
O2 | C2 | sing | 1.43Å | 1.41Å | |
C2 | C1 | sing | 1.54Å | 1.50Å | |
C2 | C3 | sing | 1.55Å | 1.52Å | |
C1 | O4 | sing | 1.44Å | 1.43Å | |
C3 | C4 | sing | 1.55Å | 1.52Å | |
O4 | C4 | sing | 1.44Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
O2X | P' | doub | 1.48Å | 1.50Å | |
O5 | P' | sing | 1.61Å | 1.61Å | |
P' | O3X | sing | 1.61Å | 1.51Å | |
P' | O1X | sing | 1.61Å | 1.50Å | |
O3X | H1A | sing | 0.97Å | 0.95Å | |
O1X | H2A | sing | 0.97Å | 0.95Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 107.3° | 109.9° |
O1 | C1 | O4 | 111.3° | 109.9° |
O1 | C1 | H1 | 111.8° | 110.0° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O2 | C2 | C1 | 105.9° | 110.5° |
O2 | C2 | C3 | 111.7° | 110.5° |
O2 | C2 | H2 | 112.4° | 110.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C1 | C2 | C3 | 104.7° | 104.1° |
C2 | C1 | O4 | 104.2° | 107.3° |
C1 | C2 | H2 | 111.0° | 110.5° |
C2 | C1 | H1 | 110.4° | 109.9° |
C2 | C3 | C4 | 103.4° | 102.1° |
C2 | C3 | H3 | 111.0° | 110.9° |
C2 | C3 | H7 | 111.0° | 110.9° |
C3 | C2 | H2 | 110.8° | 110.5° |
C1 | O4 | C4 | 106.5° | 106.9° |
O4 | C1 | H1 | 111.5° | 109.9° |
C3 | C4 | O4 | 107.5° | 103.6° |
C3 | C4 | C5 | 116.7° | 110.6° |
C3 | C4 | H4 | 107.1° | 110.6° |
C4 | C3 | H3 | 111.0° | 110.9° |
C4 | C3 | H7 | 110.9° | 110.9° |
O4 | C4 | C5 | 109.7° | 110.6° |
O4 | C4 | H4 | 108.3° | 110.6° |
C4 | C5 | O5 | 106.0° | 109.4° |
C4 | C5 | H51 | 110.3° | 109.5° |
C4 | C5 | H52 | 110.3° | 109.5° |
C5 | C4 | H4 | 107.2° | 110.6° |
C5 | O5 | P' | 119.3° | 123.0° |
O5 | C5 | H51 | 110.3° | 109.5° |
O5 | C5 | H52 | 110.3° | 109.4° |
O2X | P' | O5 | 103.0° | 109.4° |
O2X | P' | O3X | 111.3° | 109.4° |
O2X | P' | O1X | 116.5° | 109.5° |
O5 | P' | O3X | 105.7° | 109.5° |
O5 | P' | O1X | 102.2° | 109.5° |
O3X | P' | O1X | 116.1° | 109.5° |
P' | O3X | H1A | 109.5° | 114.0° |
P' | O1X | H2A | 109.5° | 114.0° |
H51 | C5 | H52 | 109.5° | 109.5° |
H3 | C3 | H7 | 109.5° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O2 | 91.6° | 119.9° |
O1 | C1 | C2 | O4 | 118.2° | 119.4° |
O1 | C1 | C2 | H1 | 122.0° | 121.1° |
O1 | C1 | C2 | C3 | 150.2° | 121.5° |
O1 | C1 | O4 | H1 | 125.6° | 121.1° |
O1 | C1 | O4 | C4 | 153.2° | 145.9° |
O1 | C1 | C2 | H2 | 30.7° | 2.8° |
O2 | C2 | C1 | C3 | 118.1° | 118.7° |
O2 | C2 | C1 | H2 | 122.3° | 122.7° |
O2 | C2 | C3 | H2 | 126.1° | 122.7° |
O2 | C2 | C1 | O4 | 150.2° | 120.7° |
O2 | C2 | C3 | C4 | 128.8° | 97.8° |
O2 | C2 | C3 | H3 | 9.7° | 144.0° |
O2 | C2 | C3 | H7 | 112.2° | 20.4° |
O2 | C2 | C1 | H1 | 30.4° | 1.3° |
C1 | C2 | C3 | H2 | 119.7° | 118.6° |
C2 | C1 | O4 | H1 | 119.1° | 119.4° |
C1 | C2 | C3 | C4 | 14.6° | 20.8° |
C2 | C1 | O4 | C4 | 37.8° | 26.4° |
C1 | C2 | C3 | H3 | 104.4° | 97.4° |
C1 | C2 | C3 | H7 | 133.6° | 139.0° |
C1 | C2 | O2 | HO2 | 180.0° | 61.5° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C3 | C2 | C1 | O4 | 32.1° | 2.0° |
C2 | C3 | C4 | H3 | 119.0° | 118.2° |
C2 | C3 | C4 | H7 | 119.0° | 118.2° |
C2 | C3 | C4 | O4 | 7.7° | 37.0° |
C2 | C3 | C4 | C5 | 131.5° | 155.5° |
C2 | C3 | C4 | H4 | 108.4° | 81.6° |
C2 | C3 | H3 | H7 | 122.8° | 123.6° |
C3 | C2 | O2 | HO2 | 66.6° | 176.2° |
C3 | C2 | C1 | H1 | 87.7° | 117.4° |
C1 | O4 | C4 | C3 | 28.6° | 40.0° |
C1 | O4 | C4 | C5 | 156.5° | 158.5° |
C1 | O4 | C4 | H4 | 86.7° | 78.6° |
O4 | C1 | C2 | H2 | 87.5° | 116.6° |
O4 | C1 | O1 | HO1 | 66.5° | 62.2° |
C3 | C4 | O4 | C5 | 127.9° | 118.5° |
C3 | C4 | O4 | H4 | 115.4° | 118.6° |
C3 | C4 | C5 | H4 | 120.0° | 122.9° |
C3 | C4 | C5 | O5 | 169.5° | 177.2° |
C3 | C4 | C5 | H51 | 50.0° | 62.8° |
C3 | C4 | C5 | H52 | 71.1° | 57.2° |
C4 | C3 | H3 | H7 | 122.8° | 123.6° |
C4 | C3 | C2 | H2 | 105.1° | 139.4° |
O4 | C4 | C5 | H4 | 117.4° | 122.9° |
O4 | C4 | C5 | O5 | 67.9° | 68.6° |
O4 | C4 | C5 | H51 | 172.7° | 51.4° |
O4 | C4 | C5 | H52 | 51.6° | 171.4° |
O4 | C4 | C3 | H3 | 126.8° | 81.2° |
O4 | C4 | C3 | H7 | 111.3° | 155.2° |
C4 | O4 | C1 | H1 | 81.2° | 93.0° |
C4 | C5 | O5 | H51 | 119.5° | 120.0° |
C4 | C5 | O5 | H52 | 119.5° | 120.0° |
C4 | C5 | O5 | P' | 148.9° | 180.0° |
C4 | C5 | H51 | H52 | 121.6° | 120.0° |
C5 | C4 | C3 | H3 | 109.5° | 37.3° |
C5 | C4 | C3 | H7 | 12.5° | 86.3° |
C5 | O5 | P' | O2X | 39.9° | 55.1° |
C5 | O5 | P' | O3X | 156.8° | 175.0° |
C5 | O5 | P' | O1X | 81.3° | 64.9° |
O5 | C5 | H51 | H52 | 121.6° | 120.0° |
O5 | C5 | C4 | H4 | 49.5° | 54.2° |
O2X | P' | O5 | O3X | 116.9° | 120.0° |
O2X | P' | O5 | O1X | 121.2° | 120.0° |
O2X | P' | O3X | O1X | 136.4° | 120.0° |
O2X | P' | O3X | H1A | 0.0° | 60.0° |
O2X | P' | O1X | H2A | 0.0° | 180.0° |
O5 | P' | O3X | O1X | 112.5° | 120.0° |
O5 | P' | O3X | H1A | 111.2° | 180.0° |
O5 | P' | O1X | H2A | 111.4° | 60.0° |
P' | O5 | C5 | H51 | 29.4° | 60.0° |
P' | O5 | C5 | H52 | 91.7° | 60.1° |
O3X | P' | O1X | H2A | 134.1° | 60.0° |
O1X | P' | O3X | H1A | 136.4° | 60.0° |
H51 | C5 | C4 | H4 | 70.0° | 174.3° |
H52 | C5 | C4 | H4 | 168.9° | 65.7° |
H4 | C4 | C3 | H3 | 10.6° | 160.2° |
H4 | C4 | C3 | H7 | 132.6° | 36.6° |
H3 | C3 | C2 | H2 | 135.9° | 21.2° |
H7 | C3 | C2 | H2 | 13.9° | 102.4° |
H2 | C2 | O2 | HO2 | 58.6° | 61.1° |
H2 | C2 | C1 | H1 | 152.7° | 123.9° |
H1 | C1 | O1 | HO1 | 58.9° | 58.9° |