chempirical

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

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

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

(±)-1,2-Dipalmitoylglycerol40290-32-252 % similar (E)-2-Hexenyl hexanoate53398-86-038 % similar (7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide82765-47-738 % similar (Z)-3-Hexenyl hexanoate31501-11-837 % similar (R)-Glycidyl butyrate60456-26-036 % similar (+)-Glycidyl butyrate65031-96-136 % similar (2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate16255-48-432 % similar (3aR,4S,5R,6aS)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one32233-40-230 % similar

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

Elsewhere

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