(+)-Diacetyl-L-tartaric anhydride

C₈H₈O₇CAS 6283-74-5216.14 g/mol

Open in Covalent MOL file

Acid anhydride Ester

Properties

Molecular formula: C₈H₈O₇
Molar mass: 216.14 g/mol
Exact mass: 216.0270 Da
Melting point: 134 °C
logP: -1.07Crippen estimate
Polar surface area: 96.0 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H315 Causes skin irritation86.3% of notifiers
H318 Causes serious eye damage13.7% of notifiers
H319 Causes serious eye irritation86.3% of notifiers
H335 May cause respiratory irritation84.3% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6283-74-5

SMILES

CC(=O)O[C@H]1C(=O)OC(=O)[C@@H]1OC(C)=O

InChIKey

XAKITKDHDMPGPW-PHDIDXHHSA-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-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all

2,5-Furandione, 3,4-bis(acetyloxy)dihydro-, (3R,4R)-
Tartaric anhydride, diacetate
2,5-Furandione, 3,4-bis(acetyloxy)dihydro-, (3R-trans)-
(3R,4R)-3,4-Bis(acetyloxy)dihydro-2,5-furandione
Diacetyl-L-tartaric anhydride
L-Diacetyltartaric anhydride
Diacetyltartaric anhydride
Diacetyltartaric acid anhydride
(R,R)-O,O-Diacetyltartaric acid anhydride
O,O′-Diacetyl-L-tartaric anhydride
(R,R)-2,3-Diacetoxy-1,4-butanedioic anhydride
(R,R)-O,O-Diacetyltartaric anhydride
NSC 7712
(2R,3R)-Di-O-acetyltartaric acid anhydride

Work with (+)-Diacetyl-L-tartaric 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

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.

D-Diacetyltartaric anhydride70728-23-3Enantiomer

Similar compounds

(3S)-2,5-Dioxooxolan-3-yl acetate59025-03-548 % similar (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-beta-D-glucopyranuronate7355-18-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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