O,O′-Di-p-toluoyl-L-tartaric acid | SBID = 121 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 127.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.3 | ||
| 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: | 289.1 | ||
| Sum Formula: | C20H18O8 | ||
| M / g/mol: | 386.356 | ||
| Complexity: | 533.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: O,O′-Di-p-toluoyl-L-tartaric acid
- Preferred Abbreviation: O,O′-Di-p-toluoyl-L-tartaric acid
- IUPAC Name: (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
- CAS: 32634-66-5
- CID: 3037000
- InChiKey: CMIBUZBMZCBCAT-HZPDHXFCSA-N
- InChi: InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m1/s1
- CanoSmiles: CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
- IsoSmiles: CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
