O,O′-dibenzoyl-d-tartaric acid | SBID = 118 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 127.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 263.9 | ||
| Sum Formula: | C18H14O8 | ||
| M / g/mol: | 358.302 | ||
| Complexity: | 483.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: O,O′-dibenzoyl-d-tartaric acid
- Preferred Abbreviation: Dibenzoyl-D-tartaric acid
- IUPAC Name: (2S,3S)-2,3-dibenzoyloxybutanedioic acid
- CAS: 17026-42-5
- CID: 1550213
- InChiKey: YONLFQNRGZXBBF-KBPBESRZSA-N
- InChi: InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m0/s1
- CanoSmiles: C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
- IsoSmiles: C1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
