chempirical

L-Gulono-1,4-lactone

C6H10O6CAS 1128-23-0178.14 g/mol

Open in Covalent MOL file
OOOHOHOHHO
AlcoholEsterLactone

Properties

Molecular formula
C6H10O6
Molar mass
178.14 g/mol
Exact mass
178.0477 Da
Melting point
180–182 °C
logP
-3.01Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, S, R, 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
1128-23-0
SMILES
O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O
InChIKey
SXZYCXMUPBBULW-SKNVOMKLSA-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.

Names and synonyms

10 names
  • L-Gulonic acid, gamma-lactone
  • Reduced ascorbate
  • L-Gulonic acid, γ-lactone
  • Gulonic acid, γ-lactone, L-
  • L-Gulonolactone
  • L-Gulono-γ-lactone
  • Reduced ascorbic acid
  • γ-Gulonolactone
  • Dihydroascorbic acid
  • L-(+)-Gulonic acid γ-lactone

Work with L-Gulono-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

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-Gulono-1,4-lactone6322-07-2Enantiomer D-Galactono-1,4-lactone2782-07-2Diastereomer L-Mannono-1,4-lactone22430-23-5Diastereomer

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

Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-7 Diethyl peroxydicarbonate14666-78-5 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-7 Polyethylene glycol bis(carboxymethyl) ether39927-08-7 Dimethyl 2,3-dihydroxybutanedioate5057-96-5 1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate608-68-4

Elsewhere

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