(+)-Dibenzoyl-D-tartaric acid
PubChem CID: 86498
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| Compound Synonyms | (+)-Dibenzoyl-D-tartaric acid, 2,3-bis(benzoyloxy)butanedioic acid, L-Dibenzoyltartaric acid, 100632-52-8, Snc86, 93656-02-1, Dibenzoyl d-tartaric acid, 2,3-dibenzoyloxybutanedioic acid, (-)-Dibenzoyltartaric acid, [-]-Dibenzoyltartaric acid, (+)-Dibenzoyl tartaric acid, [-]-Dibenzoyl tartaric acid, MFCD00063222, 2,3-BIS-BENZOYLOXY-SUCCINIC ACID, O,O-Dibenzoyltartaric acid, SCHEMBL7685, (2R,3R)-2,3-Bis(benzoyloxy)butanedioic Acid (Dibenzoyltartric Acid), DTXSID90859761, 2,3-Bis(benzoyloxy)succinic acid, YONLFQNRGZXBBF-UHFFFAOYSA-N, 2,3-Bis(benzoyloxy)succinic acid #, NSC118224, NSC338494, STL256858, AKOS001593260, AKOS016038551, AC-3427, NSC-338494, AS-11872, BP-12996, SY003764, DB-016136, DB-016138, NS00126991, 2,3-bis[(phenylcarbonyl)oxy]butanedioic acid, EN300-116981, AA-504/21104039, L016298, Butanedioic acid,3-bis(benzoyloxy)-, [R-(R*,R*)]-, [S-(R*,R*)]-2,3-Bis(benzoyloxy)succinic acid, (-)-Di-1,4-O-benzoyl-L-tartaric acid, D-Tartaric acid 2,3-dibenzoate, 2423110-25-0 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dibenzoyloxybutanedioic acid |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H14O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YONLFQNRGZXBBF-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.024 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.018 |
| Compound Name | (+)-Dibenzoyl-D-tartaric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4344108615384616 |
| 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) |
| Smiles | C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients