Sorbitan trioctadecanoate

C60H114O8CAS 26658-19-5963.56 g/mol

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AlcoholEsterEther

Properties

Molecular formula
C60H114O8
Molar mass
963.56 g/mol
Exact mass
962.8514 Da
logP
17.90Crippen estimate
Polar surface area
108.4 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
53
Stereocentres
R, R, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 181 ECHA notifiers. Aggregated from 181 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
26658-19-5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChIKey
IJCWFDPJFXGQBN-RYNSOKOISA-N
InChI
InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59+,60+/m0/s1

Weigh it out

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

Names and synonyms

35 names · show all
  • Sorbitan, trioctadecanoate
  • Sorbitan, tristearate
  • Span 65
  • Armotan TS
  • Stearic acid triester with sorbitan
  • Arlacel 65
  • Emsorb 2507
  • Glycomul TS
  • Liposorb TS
  • Famodan TS
  • Emasol S 30(F)
  • Crill 35
  • Nikkol SS 30
  • Rheodol SP-S 30
  • Poem S 65F
  • Grindsted STS 30
  • Sorbax STS
  • Sunsoft 63T
  • S-Maz 65K
  • Emasol O 30
  • Glycomul TS-K
  • Montane 65
  • Sunsoft 65T
  • E 492
  • Sorbester 65
  • Emasol S 30V
  • Span 65V
  • Nikkol SS 30V
  • Poem S 65V
  • S 65
  • Rheodol SP-S 30V
  • Admul S 65K
  • Kosteran S 3G
  • Protachem STS
  • STS 30

Work with Sorbitan trioctadecanoate

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

Sorbitan trioleate26266-58-089 % similar Sorbitan monolaurate1338-39-267 % similar Sorbitan monostearate1338-41-667 % similar Span 4026266-57-967 % similar Sorbitan monooleate1338-43-861 % similar Axona538-23-855 % similar Trilaurin538-24-955 % similar Stearin555-43-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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