L-ornithinium(2+)
PubChem CID: 449468
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| Compound Synonyms | L-ornithinium(2+), [(1S)-4-azaniumyl-1-carboxybutyl]azanium, L-ornithinediium, L-ornithine dication, CHEBI:44667, (1S)-1-carboxybutane-1,4-diaminium, Q27120567 |
|---|---|
| Topological Polar Surface Area | 92.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(1S)-4-azaniumyl-1-carboxybutyl]azanium |
| Prediction Hob | 1.0 |
| Xlogp | -4.4 |
| Molecular Formula | C5H14N2O2+2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AHLPHDHHMVZTML-BYPYZUCNSA-P |
| Fcsp3 | 0.8 |
| Logs | -0.354 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.786 |
| Compound Name | L-ornithinium(2+) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.106 |
| Formal Charge | 2.0 |
| Monoisotopic Mass | 134.106 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 134.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.3703902 |
| Inchi | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2/t4-/m0/s1 |
| Smiles | C(C[C@@H](C(=O)O)[NH3+])C[NH3+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients