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32634-66-5 | Di-4-toluoyl-L-tartaric acid
CAS No: 32634-66-5 Catalog No: AG0034S9 MDL No:MFCD00064440
Product Description
Catalog Number:
AG0034S9
Chemical Name:
Di-4-toluoyl-L-tartaric acid
CAS Number:
32634-66-5
Molecular Formula:
C20H18O8
Molecular Weight:
386.3521
MDL Number:
MFCD00064440
IUPAC Name:
(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
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
InChI Key:
CMIBUZBMZCBCAT-HZPDHXFCSA-N
SMILES:
Cc1ccc(cc1)C(=O)O[C@](C(=O)c1ccc(cc1)C)([C@H](C(=O)O)O)C(=O)O
EC Number:
251-131-7
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
386.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.356g/mol
Monoisotopic Mass:
386.1g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Application of mixtures of tartaric acid derivatives in resolution via supercritical fluid extraction. | Chirality 20070601 |
| Two salts of di-p-toluoyltartaric acid with aromatic amines. | Acta crystallographica. Section C, Crystal structure communications 20060601 |
| Optical resolution of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline by supercritical fluid extraction. | Chirality 20010101 |
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