(+)-O,O'-Dibenzoyl-D-tartaric Acid Monohydrate - CAS 80822-15-7
Catalog: |
BB036558 |
Product Name: |
(+)-O,O'-Dibenzoyl-D-tartaric Acid Monohydrate |
CAS: |
80822-15-7 |
Synonyms: |
(2S,3S)-2,3-dibenzoyloxybutanedioic acid;hydrate; (2S,3S)-2,3-dibenzoyloxybutanedioic acid;hydrate |
IUPAC Name: | (2S,3S)-2,3-dibenzoyloxybutanedioic acid;hydrate |
Description: | (+)-Dibenzoyl-D-Tartaric Acid Monohydrate can be used to treat type 2 diabetes mellitus. |
Molecular Weight: | 376.31 |
Molecular Formula: | C18H16O9 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O.O |
InChI: | InChI=1S/C18H14O8.H2O/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);1H2/t13-,14-;/m0./s1 |
InChI Key: | DXDIHODZARUBLA-IODNYQNNSA-N |
Boiling Point: | 606.6 °C at 760 mmHg |
Melting Point: | 89-92 °C |
Purity: | > 95 % |
Appearance: | Powder |
MDL: | MFCD00150722 |
LogP: | 1.54250 |
GHS Hazard Statement: | H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
16294251 | 20051207 | Copper(II)-mediated resolution of alpha-halo carboxylic acids with chiral O,O'-dibenzoyltartaric acid: spontaneous racemization and crystallization-induced dynamic resolution | Organic & biomolecular chemistry |
Complexity: | 483 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 376.07943208 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 376.07943208 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 128 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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