Cas no 80032-90-2 (Sorbitan, tritetradecanoate)

Sorbitan, tritetradecanoate structure
Sorbitan, tritetradecanoate structure
Product Name:Sorbitan, tritetradecanoate
CAS No:80032-90-2
MF:C48H90O8
MW:795.223416805267
CID:724358
Update Time:2023-08-02

Sorbitan, tritetradecanoate Chemical and Physical Properties

Names and Identifiers

    • Sorbitan, tritetradecanoate
    • Sorbitan tritetradecanoate
    • Inchi: 1S/C48H90O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-44(50)54-42(40-49)47-48(56-46(52)39-36-33-30-27-24-21-18-15-12-9-6-3)43(41-53-47)55-45(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h42-43,47-49H,4-41H2,1-3H3/t42-,43+,47-,48-/m1/s1
    • InChI Key: MTHNXRAYKHQOHR-UBNRVJQBSA-N
    • SMILES: O1C[C@@H]([C@H]([C@H]1[C@@H](CO)OC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 44
  • Complexity: 910
  • Topological Polar Surface Area: 108
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