chempirical

Triglycerol monostearate

C27H54O8CAS 26855-43-6506.72 g/mol

Open in Covalent MOL file
OOOOOHOHOHOH
AlcoholEsterEther

Properties

Molecular formula
C27H54O8
Molar mass
506.72 g/mol
Exact mass
506.3819 Da
logP
3.90Crippen estimate
Polar surface area
125.7 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
27

Hazards

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

Identifiers

CAS number
26855-43-6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COCC(CO)O)O)O
InChIKey
JHSNLCCMZMGXLK-UHFFFAOYSA-N
InChI
InChI=1S/C27H54O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(32)35-23-26(31)22-34-21-25(30)20-33-19-24(29)18-28/h24-26,28-31H,2-23H2,1H3

Weigh it out

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Names and synonyms

15 names · show all
  • Octadecanoic acid, monoester with triglycerol
  • Triglyceryl monostearate
  • Drewmulse 3-1S
  • Santone 3-1S
  • Polyaldo TGMS
  • Sunsoft A 181C
  • Paniplus 504
  • Poem TRS 100
  • Triglycerin monostearate
  • TGMS-KFG
  • Polyglyceryl 3 stearate
  • Polyaldo 3-1S
  • Santone 3-1-S-XTR
  • Triglyceride monostearate
  • Polyglyceryl-3 stearate

Work with Triglycerol monostearate

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

1-Monostearin123-94-491 % similar 1-Monolaurin142-18-791 % similar 1-Monopalmitin19670-51-091 % similar Monocaprin26402-22-291 % similar Glyceryl monocaprylate26402-26-691 % similar Monolaurin27215-38-991 % similar Glyceryl monobehenate30233-64-891 % similar Glycerol monostearate31566-31-191 % similar

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

Elsewhere

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