chempirical

Nystose

C24H42O21CAS 13133-07-8666.58 g/mol

Open in Covalent MOL file
OHOHOOOOOOHOHOHHOOOHOHOHOHOHOHOOHHO
AcetalAlcoholEther

Properties

Molecular formula
C24H42O21
Molar mass
666.58 g/mol
Exact mass
666.2219 Da
Melting point
130–133 °C
logP
-9.74Crippen estimate
Polar surface area
347.8 Ų
H-bond donors / acceptors
14 / 21
Rotatable bonds
13
Stereocentres
R, R, R, S, R, R, S, S, R, R, S, S, R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
13133-07-8
SMILES
OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIKey
FLDFNEBHEXLZRX-DLQNOBSRSA-N
InChI
InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • α-D-Glucopyranoside, O-β-D-fructofuranosyl-(2→1)-O-β-D-fructofuranosyl-(2→1)-β-D-fructofuranosyl
  • Glucopyranoside, O-β-D-fructofuranosyl-(2→1)-O-β-D-fructofuranosyl-(2→1)-β-D-fructofuranosyl, α-D-
  • O-β-D-Fructofuranosyl-(2→1)-O-β-D-fructofuranosyl-(2→1)-β-D-fructofuranosyl α-D-glucopyranoside
  • Fructosyl-(2→1)-fructosyl-(2→1)-fructosyl-(2→1)-glucose
  • Fungitetraose
  • 1,1-Kestotetraose

Work with Nystose

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

Kestose470-69-998 % similar Sucrose57-50-180 % similar Raffinose512-69-670 % similar Stachyose tetrahydrate10094-58-366 % similar D-Raffinose pentahydrate17629-30-066 % similar Epichlorohydrin-sucrose copolymer26873-85-863 % similar Melezitose597-12-663 % similar Sucrose benzoate12738-64-658 % similar

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

Same formula

Maltotetraose34612-38-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook