Cas no 373603-05-5 (1,3,5-Benzenetricarboxylic acid, tris[(3,5-dihydroxyphenyl)methyl] ester)

1,3,5-Benzenetricarboxylic acid, tris[(3,5-dihydroxyphenyl)methyl] ester structure
373603-05-5 structure
Product Name:1,3,5-Benzenetricarboxylic acid, tris[(3,5-dihydroxyphenyl)methyl] ester
CAS No:373603-05-5
MF:C30H24O12
MW:576.504369735718
CID:1482914
PubChem ID:11342187
Update Time:2025-04-21

1,3,5-Benzenetricarboxylic acid, tris[(3,5-dihydroxyphenyl)methyl] ester Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Benzenetricarboxylic acid, tris[(3,5-dihydroxyphenyl)methyl] ester
    • tris[(3,5-dihydroxyphenyl)methyl] benzene-1,3,5-tricarboxylate
    • DTXSID70462878
    • 373603-05-5
    • Inchi： 1S/C30H24O12/c31-22-1-16(2-23(32)10-22)13-40-28(37)19-7-20(29(38)41-14-17-3-24(33)11-25(34)4-17)9-21(8-19)30(39)42-15-18-5-26(35)12-27(36)6-18/h1-12,31-36H,13-15H2
    • InChI Key： PPMBRILVDZAFMJ-UHFFFAOYSA-N
    • SMILES： O(C(C1C=C(C(=O)OCC2C=C(C=C(C=2)O)O)C=C(C(=O)OCC2C=C(C=C(C=2)O)O)C=1)=O)CC1C=C(C=C(C=1)O)O

Computed Properties

  • Exact Mass: 576.12672
  • Monoisotopic Mass: 576.12677620g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 12
  • Complexity: 757
  • 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: 3.8
  • Topological Polar Surface Area: 200?2

Experimental Properties

  • PSA: 200.28

1,3,5-Benzenetricarboxylic acid, tris[(3,5-dihydroxyphenyl)methyl] ester Related Literature

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