2-Amino-1,3,4,5-eicosanetetrol
PubChem CID: 122391237
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-amino-1,3,4,5-eicosanetetrol, CHEBI:131749, 2-amino-1,3,4,5-icosanetetrol, 2-aminoicosane-1,3,4,5-tetrol, 2-aminoeicosane-1,3,4,5-tetrol |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-aminoicosane-1,3,4,5-tetrol |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Is Pains | False |
| Molecular Formula | C20H43NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILMFJEORWZZXPC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 18.0 |
| Compound Name | 2-Amino-1,3,4,5-eicosanetetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 361.319 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 361.319 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 361.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7665154 |
| Inchi | InChI=1S/C20H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16,21H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCC(C(C(C(CO)N)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients