MLT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C1 | O2 | sing | 1.34Å | 1.24Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C2 | O3 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C4 | O4 | doub | 1.21Å | 1.26Å | |
C4 | O5 | sing | 1.34Å | 1.26Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O2 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O2 | 123.5° | 120.0° |
O1 | C1 | C2 | 120.6° | 120.1° |
O2 | C1 | C2 | 115.5° | 120.0° |
C1 | O2 | H6 | 109.5° | 117.0° |
C1 | C2 | O3 | 111.2° | 109.5° |
C1 | C2 | C3 | 108.1° | 109.4° |
C1 | C2 | H2 | 106.9° | 109.5° |
O3 | C2 | C3 | 115.6° | 109.5° |
O3 | C2 | H2 | 107.9° | 109.5° |
C2 | O3 | HO3 | 109.5° | 114.0° |
C3 | C2 | H2 | 106.7° | 109.5° |
C2 | C3 | C4 | 119.4° | 109.5° |
C2 | C3 | H31 | 106.9° | 109.5° |
C2 | C3 | H32 | 106.9° | 109.5° |
C4 | C3 | H31 | 106.9° | 109.5° |
C4 | C3 | H32 | 106.9° | 109.4° |
C3 | C4 | O4 | 120.2° | 120.0° |
C3 | C4 | O5 | 115.0° | 120.0° |
H31 | C3 | H32 | 109.5° | 109.5° |
O4 | C4 | O5 | 124.6° | 120.0° |
C4 | O5 | HO5 | 109.5° | 117.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O2 | C2 | 173.4° | 179.8° |
O1 | C1 | C2 | O3 | 156.4° | 4.9° |
O1 | C1 | C2 | C3 | 28.5° | 115.0° |
O1 | C1 | C2 | H2 | 86.0° | 124.9° |
O1 | C1 | O2 | H6 | 0.0° | 0.0° |
O2 | C1 | C2 | O3 | 30.0° | 175.3° |
O2 | C1 | C2 | C3 | 157.9° | 64.8° |
O2 | C1 | C2 | H2 | 87.6° | 55.3° |
C1 | C2 | O3 | C3 | 123.8° | 120.0° |
C1 | C2 | O3 | H2 | 117.0° | 120.0° |
C1 | C2 | C3 | H2 | 114.7° | 120.1° |
C1 | C2 | O3 | HO3 | 180.0° | 60.0° |
C1 | C2 | C3 | C4 | 70.3° | 175.1° |
C1 | C2 | C3 | H31 | 168.4° | 55.0° |
C1 | C2 | C3 | H32 | 51.1° | 65.0° |
C2 | C1 | O2 | H6 | 173.4° | 179.8° |
O3 | C2 | C3 | H2 | 120.0° | 120.0° |
O3 | C2 | C3 | C4 | 55.1° | 65.0° |
O3 | C2 | C3 | H31 | 66.3° | 175.0° |
O3 | C2 | C3 | H32 | 176.5° | 55.0° |
C3 | C2 | O3 | HO3 | 56.2° | 60.0° |
C2 | C3 | C4 | H31 | 121.4° | 120.0° |
C2 | C3 | C4 | H32 | 121.4° | 120.0° |
C2 | C3 | H31 | H32 | 115.5° | 120.0° |
C2 | C3 | C4 | O4 | 6.1° | 0.0° |
C2 | C3 | C4 | O5 | 168.7° | 180.0° |
H2 | C2 | O3 | HO3 | 63.1° | 180.0° |
H2 | C2 | C3 | C4 | 175.1° | 55.0° |
H2 | C2 | C3 | H31 | 53.7° | 65.0° |
H2 | C2 | C3 | H32 | 63.5° | 175.0° |
C4 | C3 | H31 | H32 | 115.5° | 120.0° |
C3 | C4 | O4 | O5 | 174.2° | 180.0° |
C3 | C4 | O5 | HO5 | 174.5° | 180.0° |
H31 | C3 | C4 | O4 | 127.5° | 120.0° |
H31 | C3 | C4 | O5 | 47.3° | 59.9° |
H32 | C3 | C4 | O4 | 115.3° | 120.0° |
H32 | C3 | C4 | O5 | 69.9° | 60.0° |
O4 | C4 | O5 | HO5 | 0.0° | 0.0° |