2-Amino-1,3,4-tetradecanetriol
PubChem CID: 85781307
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SPB 14:0, 3O, 2-amino-1,3,4-tetradecanetriol, 2-aminotetradecane-1,3,4-triol, CHEBI:131750 |
|---|---|
| Topological Polar Surface Area | 86.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-aminotetradecane-1,3,4-triol |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C14H31NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QDBLJDVWLXPWOQ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 12.0 |
| Compound Name | 2-Amino-1,3,4-tetradecanetriol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 261.23 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 261.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 261.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2248172000000004 |
| Inchi | InChI=1S/C14H31NO3/c1-2-3-4-5-6-7-8-9-10-13(17)14(18)12(15)11-16/h12-14,16-18H,2-11,15H2,1H3 |
| Smiles | CCCCCCCCCCC(C(C(CO)N)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients