chempirical

Anhydrohexitol sesquioleate

C66H130O18CAS 8007-43-01211.75 g/mol

Open in Covalent MOL file
OOHOOHOOHHOOHOHOHOHOHHOOHOHOHOHOH
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C66H130O18
Molar mass
1211.75 g/mol
Exact mass
1210.9257 Da
logP
11.15Crippen estimate
Polar surface area
354.7 Ų
H-bond donors / acceptors
15 / 15
Rotatable bonds
55
Stereocentres
R, R, R, S, R, R, R, Sin SMILES atom order
Double bonds
Z, Z, ZE/Z, in SMILES order

Hazards

Not classified as hazardous under GHS by 358 ECHA notifiers. Aggregated from 358 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
8007-43-0
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIKey
CUNWUEBNSZSNRX-RKGWDQTMSA-N
InChI
InChI=1S/3C18H34O2.2C6H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-1-3(9)5(11)6(12)4(10)2-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);2*3-12H,1-2H2/b3*10-9-;;/t;;;2*3-,4+,5-,6-/m...11/s1

Weigh it out

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

Names and synonyms

41 names · show all
  • Sorbitan, sesquioleate
  • Sorbitan, (9Z)-9-octadecenoate (2:3)
  • Sorbitan, (Z)-9-octadecenoate (2:3)
  • Arlacel C
  • Arlacel 83
  • Crill K 16
  • Crill 16
  • Emulgator 8972
  • Emasol 41S
  • Nissan nonion OP 83
  • Glycomul SOC special
  • Sorgen 30
  • Span 83
  • SO 15
  • Nissan nonion OP 83RAT
  • Emsorb 2502
  • Liposorb SQO
  • Nikkol SO 15
  • Glycomul SOC
  • Nonion OP 83RAT
  • Montane 83
  • Rheodol AO 15
  • Sorbitol sesquioleate
  • Nikkol SO 15R
  • Montanox 83
  • Dehymuls SSO
  • Cosmol 82
  • Emalex SPO 150
  • Rheodol AO 15V
  • Nikkol SO 15V
  • SO 15R
  • Crill 43
  • Sorgen 30V
  • Arlacel 83V
  • Emalex SPO 100
  • Nofable SO 852S
  • Arlace 183
  • SO 15V
  • Montane 83VG
  • SO 15MV
  • OP 83RAT

Work with Anhydrohexitol sesquioleate

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

Elaidic acid112-79-869 % similar Oleic acid112-80-169 % similar Erucic acid112-86-769 % similar Palmitoleic acid373-49-969 % similar 9-Eicosenoic acid506-31-069 % similar Brassidic acid506-33-269 % similar Nervonic acid506-37-669 % similar 11-Eicosenoic acid5561-99-969 % similar

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

Elsewhere

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