L-Mannono-1,4-lactone

C₆H₁₀O₆CAS 22430-23-5178.14 g/mol

Open in Covalent MOL file

Alcohol Ester Lactone

Properties

Molecular formula: C₆H₁₀O₆
Molar mass: 178.14 g/mol
Exact mass: 178.0477 Da
logP: -3.01Crippen estimate
Polar surface area: 107.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
Stereocentres: S, S, S, Rin SMILES atom order

Identifiers

CAS number

22430-23-5

SMILES

C([C@@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O)O

InChIKey

SXZYCXMUPBBULW-KLVWXMOXSA-N

InChI

InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1

Weigh it out

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

Work with L-Mannono-1,4-lactone

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

(+)-Ribonolactone5336-08-361 % similar Glucono delta-lactone90-80-261 % similar Glucuronolactone32449-92-651 % similar Lactobionic acid96-82-250 % similar Gluconic acid526-95-449 % similar D-Sorbose3615-56-346 % similar Psicose551-68-846 % similar Fructose57-48-746 % similar

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

Same formula

Reduced ascorbate1128-23-0 Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-7 Diethyl peroxydicarbonate14666-78-5 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-7 D-Galactono-1,4-lactone2782-07-2 Polyethylene glycol bis(carboxymethyl) ether39927-08-7 1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate608-68-4 D-Gulono-1,4-lactone6322-07-2

Elsewhere

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