L-argininium(2+)
PubChem CID: 444360
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| Compound Synonyms | L-argininium(2+), 2-AMINO-5-GUANIDINO-PENTANOIC ACID, GND, L-argininediium, 4psh, 4usj, L-arginine dication, CHEBI:32683, [(1S)-1-carboxy-4-guanidiniobutyl]ammonium, Q27115068 |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(4S)-4-azaniumyl-4-carboxybutyl]-(diaminomethylidene)azanium |
| Prediction Hob | 1.0 |
| Xlogp | -4.2 |
| Molecular Formula | C6H16N4O2+2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODKSFYDXXFIFQN-BYPYZUCNSA-P |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.47 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.455 |
| Compound Name | L-argininium(2+) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.127 |
| Formal Charge | 2.0 |
| Monoisotopic Mass | 176.127 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 176.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.1094360000000005 |
| Inchi | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m0/s1 |
| Smiles | C(C[C@@H](C(=O)O)[NH3+])C[NH+]=C(N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients