Glycoside
GD039978
Name:
[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphiteFormula:
C11H13O6N5F3PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(O)O)[C@H](O)[C@@H]1OC(F)(F)FAglycone:
COP(O)O.Nc1ncnc2c1N=C[N]2.OC(F)(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.22 | Num_heavy_atoms: | 26 |
| TPSA: | 158.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24033
Formula: CH5O3P
Smiles:
COP(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD24621
Formula: CHOF3
Smiles:
OC(F)(F)F| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.01 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
