(3R)-3-(Acetyloxy)dihydro-2,5-furandione

C₆H₆O₅CAS 79814-40-7158.11 g/mol

Open in Covalent MOL file

Acid anhydride Ester

Properties

Molecular formula: C₆H₆O₅
Molar mass: 158.11 g/mol
Exact mass: 158.0215 Da
logP: -0.61Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H228 Flammable solid45.7% of notifiers
H314 Causes severe skin burns and eye damage45.7% of notifiers
H315 Causes skin irritation54.3% of notifiers
H319 Causes serious eye irritation54.3% of notifiers
H335 May cause respiratory irritation53.1% of notifiers

Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

79814-40-7

SMILES

CC(=O)O[C@@H]1CC(=O)OC1=O

InChIKey

SSWJHSASZZAIAU-SCSAIBSYSA-N

InChI

InChI=1S/C6H6O5/c1-3(7)10-4-2-5(8)11-6(4)9/h4H,2H2,1H3/t4-/m1/s1

Weigh it out

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

Names and synonyms

8 names

2,5-Furandione, 3-(acetyloxy)dihydro-, (3R)-
2,5-Furandione, 3-(acetyloxy)dihydro-, (R)-
(R)-3-Acetoxy-3,4-dihydro-2,5-furandione
(3R)-2,5-Dioxooxolan-3-yl acetate
[(3R)-2,5-Dioxooxolan-3-yl] acetate
2,5-Furandione 3-(acetyloxy)dihydro-, (3R)-
(R)-(+)-2-Acetoxysuccinic anhydride
(+)-O-Acetyl-D-malic Anhydride

Work with (3R)-3-(Acetyloxy)dihydro-2,5-furandione

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.

(3S)-2,5-Dioxooxolan-3-yl acetate59025-03-5Enantiomer

Similar compounds

(+)-Diacetyl-L-tartaric anhydride6283-74-548 % similar D-Diacetyltartaric anhydride70728-23-348 % similar Methylsuccinic anhydride4100-80-547 % similar 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-047 % similar S-Acetylmercaptosuccinic anhydride6953-60-243 % similar 1-Bromoethyl acetate40258-78-439 % similar Isopropyl acetate108-21-439 % similar 2,3-Diacetoxybutane1114-92-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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