chempirical

Sucrose

C12H22O11CAS 57-50-1342.30 g/mol

Open in Covalent MOL file
OHOOHOOOHOHOHHOHOHO
AcetalAlcoholEther

Properties

Molecular formula
C12H22O11
Molar mass
342.30 g/mol
Exact mass
342.1162 Da
Density
1.5805 g/mL (at 17 °C)
Melting point
185.5 °C
pKa
12.62
Water solubility
2,000 g/L (25 °C)
logP
-5.40Crippen estimate
Polar surface area
189.5 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
5
Stereocentres
R, S, R, R, S, S, R, S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 442 ECHA notifiers. Aggregated from 442 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
57-50-1
SMILES
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIKey
CZMRCDWAGMRECN-UGDNZRGBSA-N
InChI
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

Weigh it out

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

Names and synonyms

42 names · show all
  • α-D-Glucopyranoside, β-D-fructofuranosyl
  • β-D-Fructofuranosyl α-D-glucopyranoside
  • Cane sugar
  • Confectioner's sugar
  • Granulated sugar
  • Rock candy
  • Saccharose
  • Saccharum
  • Sugar
  • D-Sucrose
  • White sugar
  • Beet sugar
  • Microse
  • Amerfond
  • D-(+)-Saccharose
  • D-(+)-Sucrose
  • Sucralox
  • Manalox AS
  • (+)-Sucrose
  • GNE 410
  • NSC 406942
  • Frost sugar
  • Carrare C 10
  • Khandsari
  • α-D-Glucosyl-β-D-fructofuranoside
  • Sucrose NF
  • Compressuc
  • S 67F
  • Pharma-a-spheres 20/25
  • Granulite sugar CIG
  • MGP
  • MGP (sugar)
  • Tootsweet
  • Nitto hi-sweet deluxe
  • Nitto hydriodide-Sweet Deluxe
  • 2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • GHC 1
  • (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • Frost sugar FS 2
  • Demerara
  • Sugar ARD
  • Sucrene SR 80/100

Work with Sucrose

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

Raffinose512-69-685 % similar Kestose470-69-983 % similar Nystose13133-07-880 % similar 1F-Fructofuranosylnystose59432-60-980 % similar Fructoheptasaccharide62512-20-380 % similar Stachyose tetrahydrate10094-58-379 % similar D-Raffinose pentahydrate17629-30-079 % similar Epichlorohydrin-sucrose copolymer26873-85-876 % similar

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

Same formula

Isomaltulose13718-94-0 α-D-Lactose14641-93-1 Lactulose4618-18-2 Isomaltose499-40-1 Cellobiose528-50-7 Turanose547-25-1 Gentiobiose554-91-6 6-O-α-D-Glucopyranosyl-α-D-fructofuranose58166-27-1

Elsewhere

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