chempirical

Reduced ascorbate

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

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

9 names
  • L-Gulonic acid, γ-lactone
  • Gulonic acid, γ-lactone, L-
  • L-Gulono-1,4-lactone
  • L-Gulonolactone
  • L-Gulono-γ-lactone
  • Reduced ascorbic acid
  • γ-Gulonolactone
  • Dihydroascorbic acid
  • L-(+)-Gulonic acid γ-lactone

Work with Reduced ascorbate

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 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 L-Fructose7776-48-946 % 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 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 Glucono delta-lactone90-80-2

Elsewhere

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