Acetyl-D/L-Carnitine | SBID = 925 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 66.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 160.7 | ||
| Sum Formula: | C9H17NO4 | ||
| M / g/mol: | 203.24 | ||
| Complexity: | 214.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, charged
- Name: Acetyl-D/L-Carnitine
- Preferred Abbreviation: Acetyl-D/L-Carnitine
- IUPAC Name: 3-acetyloxy-4-(trimethylazaniumyl)butanoate
- CAS: 870-77-9
- CID: 1
- InChiKey: RDHQFKQIGNGIED-UHFFFAOYSA-N
- InChi: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3
- CanoSmiles: CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
- IsoSmiles: CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
