Cas no 16544-70-0 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trihexyl ester)

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trihexyl ester structure
16544-70-0 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trihexyl ester
CAS No:16544-70-0
MF:C24H44O7
MW:444.601968765259
CID:121727
PubChem ID:519281
Update Time:2025-04-18

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

Names and Identifiers

    • 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trihexyl ester
    • trihexyl 2-hydroxypropane-1,2,3-tricarboxylate
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester
    • tri-n-hexyl citrate
    • SCHEMBL29025
    • 16544-70-0
    • 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trihexyl ester
    • DTXSID90333950
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-trihexyl ester
    • AMMPRZCMKXDUNE-UHFFFAOYSA-N
    • Inchi： 1S/C24H44O7/c1-4-7-10-13-16-29-21(25)19-24(28,23(27)31-18-15-12-9-6-3)20-22(26)30-17-14-11-8-5-2/h28H,4-20H2,1-3H3
    • InChI Key： AMMPRZCMKXDUNE-UHFFFAOYSA-N
    • SMILES： O(CCCCCC)C(C(CC(=O)OCCCCCC)(CC(=O)OCCCCCC)O)=O

Computed Properties

  • Exact Mass: 444.30882
  • Monoisotopic Mass: 444.30870374g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 23
  • Complexity: 462
  • 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
  • XLogP3: 6
  • Topological Polar Surface Area: 99.1?2

Experimental Properties

  • PSA: 99.13

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trihexyl ester Related Literature

16544-70-0 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trihexyl ester) Related Products

Recommended suppliers
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent