Ascorbic Acid | SBID = 1411 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C6H8O6 | ||
| M / g/mol: | 176.12412 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: Ascorbic Acid
- Preferred Abbreviation: Ascorbic Acid
- IUPAC Name:
- CAS:
- CID: -522
- InChiKey: CIWBSHSKHKDKBQ-UHFFFAOYSA-N
- InChi: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2
- CanoSmiles: OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O
- IsoSmiles: O=C1C(O)=C(O)[C@]([C@@H](O)CO)([H])O1
