chempirical

D-Diacetyltartaric anhydride

C8H8O7CAS 70728-23-3216.14 g/mol

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Acid anhydrideEster

Properties

Molecular formula
C8H8O7
Molar mass
216.14 g/mol
Exact mass
216.0270 Da
logP
-1.07Crippen estimate
Polar surface area
96.0 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
70728-23-3
SMILES
CC(=O)O[C@H]1[C@@H](C(=O)OC1=O)OC(=O)C
InChIKey
XAKITKDHDMPGPW-WDSKDSINSA-N
InChI
InChI=1S/C8H8O7/c1-3(9)13-5-6(14-4(2)10)8(12)15-7(5)11/h5-6H,1-2H3/t5-,6-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • [(3S,4S)-4-Acetyloxy-2,5-dioxooxolan-3-yl] acetate
  • Diacetyltartaric anhydride, D-
  • (-)-Diacetyl-D-tartaric Anhydride
  • 2,5-Furandione, 3,4-bis(acetyloxy)dihydro-, (3S,4S)-
  • Diacetyltartaric anhydride, (-)-
  • 2,5-Furandione, 3,4-bis(acetyloxy)dihydro-, (3S-trans)-
  • (3S,4S)-2,5-Dioxotetrahydrofuran-3,4-diyl diacetate
  • Di-O-acetyl-D-tartaric Anhydride
  • (3S-Trans)-3,4-diacetoxydihydro-2,5-furandione
  • (3S,4S)-2,5-Dioxotetrahydrofuran-3,4-diyldiacetate
  • [(3S,4S)-4-Acetoxy-2,5-dioxo-tetrahydrofuran-3-yl] acetate
  • Acetic acid (3S,4S)-4-acetoxy-2,5-dioxo-tetrahydro-furan-3-yl ester

Work with D-Diacetyltartaric anhydride

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

Similar compounds

(3R)-3-(Acetyloxy)dihydro-2,5-furandione79814-40-748 % similar 1-Bromoethyl acetate40258-78-448 % similar Isopropyl acetate108-21-448 % similar 2,3-Diacetoxybutane1114-92-748 % similar Acetic anhydride108-24-748 % similar D-Gluconic acid δ-lactone 2,3,4,6-tetraacetate61259-48-146 % similar Methyl 1,2,3,4-tetra-O-acetyl-β-D-glucopyranuronate7355-18-242 % similar Triacetin102-76-141 % similar

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

Same formula

(+)-Diacetyl-L-tartaric anhydride6283-74-5

Elsewhere

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