chempirical

Melezitose

C18H32O16CAS 597-12-6504.44 g/mol

Open in Covalent MOL file
OHOOHOOOHOHOHHOOOHOHOHOOHHO
AcetalAlcoholEther

Properties

Molecular formula
C18H32O16
Molar mass
504.44 g/mol
Exact mass
504.1690 Da
Melting point
153 °C
logP
-7.57Crippen estimate
Polar surface area
268.7 Ų
H-bond donors / acceptors
11 / 16
Rotatable bonds
8
Stereocentres
R, S, R, R, S, S, R, S, R, R, S, S, R, 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
597-12-6
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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIKey
QWIZNVHXZXRPDR-WSCXOGSTSA-N
InChI
InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • α-D-Glucopyranoside, O-α-D-glucopyranosyl-(1→3)-β-D-fructofuranosyl
  • O-α-D-Glucopyranosyl-(1→3)-β-D-fructofuranosyl α-D-glucopyranoside
  • D-Melezitose
  • D-(+)-Melezitose
  • (+)-Melezitose

Work with Melezitose

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

Sucrose57-50-173 % similar Nystose13133-07-863 % similar 1F-Fructofuranosylnystose59432-60-963 % similar Fructoheptasaccharide62512-20-363 % similar Stachyose tetrahydrate10094-58-359 % similar D-Raffinose pentahydrate17629-30-059 % similar Epichlorohydrin-sucrose copolymer26873-85-857 % similar Trehalose99-20-756 % similar

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

Same formula

Maltotriose1109-28-0 Manninotriose13382-86-0 Kestose470-69-9 Raffinose512-69-6 Dextrin9004-53-9 Laminarin9008-22-4 Cellulase9012-54-8 β-D-Glucan9041-22-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia