Vitamin C | SBID = 378 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 107.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.6 | ||
| 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): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 120.9 | ||
| Sum Formula: | C6H8O6 | ||
| M / g/mol: | 176.124 | ||
| Complexity: | 232.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags:
- Name: Vitamin C
- Preferred Abbreviation: Vitamin C
- IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
- CAS: 50-81-7
- CID: 54670067
- InChiKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N
- InChi: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
- CanoSmiles: C(C(C1C(=C(C(=O)O1)O)O)O)O
- IsoSmiles: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
