(2S,3S)-2,3-Bis(pivaloyloxy)succinic acid

C₁₄H₂₂O₈CAS 76769-55-6318.32 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₁₄H₂₂O₈
Molar mass: 318.32 g/mol
Exact mass: 318.1315 Da
logP: 1.07Crippen estimate
Polar surface area: 127.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5
Stereocentres: S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

76769-55-6

SMILES

CC(C)(C)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C(C)(C)C)C(=O)O

InChIKey

UFHJEZDFEHUYCR-YUMQZZPRSA-N

InChI

InChI=1S/C14H22O8/c1-13(2,3)11(19)21-7(9(15)16)8(10(17)18)22-12(20)14(4,5)6/h7-8H,1-6H3,(H,15,16)(H,17,18)/t7-,8-/m0/s1

Weigh it out

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Names and synonyms

1 names

(+)-Dipivaloyl-D-tartaric acid

Work with (2S,3S)-2,3-Bis(pivaloyloxy)succinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2R,3R)-2,3-Bis(pivaloyloxy)succinic acid65259-81-6Enantiomer

Similar compounds

Pivalic anhydride1538-75-644 % similar cis-Epoxysuccinate16533-72-544 % similar Polyepoxysuccinic acid51274-37-444 % similar Methyl pivalate598-98-141 % similar 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-440 % similar tert-Butyl trimethylacetate16474-43-440 % similar 2,3-O-Isopropylidene-1-O-methyl-D-ribosic acid54622-95-640 % similar (-)-Di-p-toluoyl-L-tartaric acid217968-14-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Acetyl triethyl citrate77-89-4

Elsewhere

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