chempirical

Gentiobiose

C12H22O11CAS 554-91-6342.30 g/mol

Open in Covalent MOL file
OOHHOHOHOOOOHOHOHHO
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C12H22O11
Molar mass
342.30 g/mol
Exact mass
342.1162 Da
Melting point
86 °C
logP
-5.55Crippen estimate
Polar surface area
197.4 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
8
Stereocentres
R, S, R, R, R, R, S, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
554-91-6
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
AYRXSINWFIIFAE-UDKQPYHCSA-N
InChI
InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • D-Glucose, 6-O-β-D-glucopyranosyl-
  • 6-O-β-D-Glucopyranosyl-D-glucose
  • Amygdalose
  • 6-(β-D-Glucosido)-D-glucose
  • D-Gentiobiose

Work with Gentiobiose

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.

Isomaltose499-40-1Diastereomer Melibiose585-99-9Diastereomer

Similar compounds

Manninotriose13382-86-095 % similar Xylobiose6860-47-590 % similar Xylopentaose49694-20-488 % similar Isomaltitol534-73-670 % similar Isomalt64519-82-070 % similar Lactose63-42-367 % similar Maltose69-79-467 % similar Maltotriose1109-28-063 % 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 Cellobiose528-50-7 Turanose547-25-1 Sucrose57-50-1 6-O-α-D-Glucopyranosyl-α-D-fructofuranose58166-27-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia