2,6-Diamino-7-hydroxy-azelaic acid
PubChem CID: 443585
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| Compound Synonyms | 2,6-Diamino-7-hydroxy-azelaic acid, 2,6-diamino-7-hydroxynonanedioic acid, CHEBI:29468, SCHEMBL7702004, 2,6-diamino-7-hydroxyazelaic acid, Q27110086 |
|---|---|
| Topological Polar Surface Area | 147.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-diamino-7-hydroxynonanedioic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -6.6 |
| Is Pains | False |
| Molecular Formula | C9H18N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMYUTJGBCFJNFF-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Rotatable Bond Count | 8.0 |
| Compound Name | 2,6-Diamino-7-hydroxy-azelaic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.122 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 234.122 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 234.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 3.3747376 |
| Inchi | InChI=1S/C9H18N2O5/c10-5(7(12)4-8(13)14)2-1-3-6(11)9(15)16/h5-7,12H,1-4,10-11H2,(H,13,14)(H,15,16) |
| Smiles | C(CC(C(CC(=O)O)O)N)CC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients