Stachyose tetrahydrate

C24H50O25CAS 10094-58-3738.64 g/mol

Open in Covalent MOL file
H2OH2OH2OH2OOHOOOOOOOHOHOHOOHOHOHOHOHOHHOOHHOHO
AcetalAlcoholEther

Properties

Molecular formula
C24H50O25
Molar mass
738.64 g/mol
Exact mass
738.2641 Da
logP
-13.05Crippen estimate
Polar surface area
473.8 Ų
H-bond donors / acceptors
14 / 21
Rotatable bonds
11
Stereocentres
R, S, R, S, R, R, S, R, S, S, R, S, S, R, S, R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
10094-58-3
SMILES
O.O.O.O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIKey
KUVZQLSUXDNGAW-QPIIYOCQSA-N
InChI
InChI=1S/C24H42O21.4H2O/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24;;;;/h6-23,25-38H,1-5H2;4*1H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+;;;;/m1..../s1

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Names and synonyms

3 names
  • α-D-Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1→6)-O-α-D-galactopyranosyl-(1→6)-, hydrate (1:4)
  • Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1→6)-O-α-D-galactopyranosyl-(1→6)-, tetrahydrate, α-D-
  • α-D-Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1→6)-O-α-D-galactopyranosyl-(1→6)-, tetrahydrate

Work with Stachyose tetrahydrate

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

D-Raffinose pentahydrate17629-30-0100 % similar Raffinose512-69-693 % similar Sucrose57-50-179 % similar Epichlorohydrin-sucrose copolymer26873-85-869 % similar Kestose470-69-967 % similar Nystose13133-07-866 % similar 1F-Fructofuranosylnystose59432-60-966 % similar Fructoheptasaccharide62512-20-366 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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