chempirical

Methyl glucose sesquistearate

C25H50O8CAS 68936-95-8478.67 g/mol

Open in Covalent MOL file
OOHOOOHOHOHHO
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C25H50O8
Molar mass
478.67 g/mol
Exact mass
478.3506 Da
logP
3.77Crippen estimate
Polar surface area
136.7 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
18
Stereocentres
R, S, S, Rin SMILES atom order

Identifiers

CAS number
68936-95-8
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
IIFBWSMAHOUHPB-VBCATWOOSA-N
InChI
InChI=1S/C18H36O2.C7H14O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-12-7-6(11)5(10)4(9)3(2-8)13-7/h2-17H2,1H3,(H,19,20);3-11H,2H2,1H3/t;3-,4-,5+,6-,7?/m.1/s1

Weigh it out

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

Names and synonyms

5 names
  • D-Glucopyranoside, methyl, octadecanoate (2:3)
  • Glucate SS
  • Grillocose PS
  • Tego care PS
  • Methyl glucoside sesquistearate

Work with Methyl glucose sesquistearate

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

Sucrose laurate37266-93-666 % similar Sucrose octadecanoate37318-31-366 % similar Methyl β-D-galactopyranoside1824-94-858 % similar Methyl-α-D-galactose3396-99-458 % similar Methyl α-D-mannopyranoside617-04-958 % similar Methyl β-D-glucopyranoside709-50-258 % similar Methyl α-D-glucopyranoside97-30-358 % similar Methyl β-D-ribofuranoside7473-45-256 % similar

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

Elsewhere

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