chempirical

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

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

Weigh it out

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

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 6-O-α-D-Glucopyranosyl-α-D-fructofuranose58166-27-161 % similar Melezitose597-12-659 % similar

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

Elsewhere

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