3-Hydroxyasparagine, (3S)-
PubChem CID: 15991574
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | beta-Hydroxyasparagine, (2S,3S)-3-hydroxyasparagine, 20790-72-1, (3S)-3-hydroxy-L-asparagine, 9J17BCS69U, Asparagine, 3-hydroxy-, L-threo-, L-Asparagine, 3-hydroxy-, threo-, L-Asparagine, 3-hydroxy-, (3S)-, (2S,3S)-2,4-diamino-3-hydroxy-4-oxobutanoic acid, UNII-9J17BCS69U, .BETA.-HYDROXYASPARAGINE, (3S)-3-HYDROXYASPARAGINE, 3-HYDROXYASPARAGINE, (3S)-, SCHEMBL1867463, CHEBI:50789, DTXSID001310305, AKOS006340400, DB04527, NS00070168, C20631, Q27095296, AHB |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,3S)-2,4-diamino-3-hydroxy-4-oxobutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -5.1 |
| Molecular Formula | C4H8N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQTLPSCRBFYDNX-LWMBPPNESA-N |
| Fcsp3 | 0.5 |
| Logs | -0.186 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.186 |
| Compound Name | 3-Hydroxyasparagine, (3S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.048 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 148.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.1675684000000004 |
| Inchi | InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1 |
| Smiles | [C@H]([C@@H](C(=O)N)O)(C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients