Cas no 94277-82-4 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tridocosyl ester)

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tridocosyl ester structure
94277-82-4 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tridocosyl ester
CAS No:94277-82-4
MF:C72H140O7
MW:1117.87782478333
CID:806023
PubChem ID:57356768
Update Time:2025-04-19

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tridocosyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tridocosyl ester
    • tridocosyl 2-hydroxypropane-1,2,3-tricarboxylate
    • tridocosyl citrate
    • NS00040363
    • 94277-82-4
    • DTXSID60241376
    • EINECS 304-666-6
    • Inchi: 1S/C72H140O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-77-69(73)67-72(76,71(75)79-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-70(74)78-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h76H,4-68H2,1-3H3
    • InChI Key: HITKLFKAGHPBFY-UHFFFAOYSA-N
    • SMILES: O(C(C(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)O)=O)CCCCCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 780.684305
  • Monoisotopic Mass: 780.684305
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 47
  • Complexity: 800
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 99.1
  • XLogP3: 32

Experimental Properties

  • Density: 0.912
  • Boiling Point: 936.7°Cat760mmHg
  • Flash Point: 218.2°C
  • Refractive Index: 1.471
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