Cas no 1620959-59-2 (TBADB-18 Cr6)

TBADB-18 Cr6 structure
TBADB-18 Cr6 structure
Product Name:TBADB-18 Cr6
CAS No:1620959-59-2
MF:C48H40O14
MW:840.822814941406
CID:4757025
PubChem ID:101881319
Update Time:2026-02-26

TBADB-18 Cr6 Chemical and Physical Properties

Names and Identifiers

    • 4,4',4'',4'''-(6,7,9,10,17,18,20,21-Octahydro-dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,3,
    • TBADB-18 Cr6
    • 4-[12,24,25-tris(4-carboxyphenyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]benzoic acid
    • 4,4',4'',4'''-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetrayl)tetrabenzoicacid
    • 4,4',4'',4'''-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetrayl)tetrabenzoic acid
    • 1620959-59-2
    • F88852
    • CS-0170637
    • 4-[12,24,25-tris(4-carboxyphenyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0?,(1)?]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl]benzoic acid
    • BS-47201
    • Inchi： 1S/C48H40O14/c49-45(50)33-9-1-29(2-10-33)37-25-41-42(26-38(37)30-3-11-34(12-4-30)46(51)52)60-22-18-58-20-24-62-44-28-40(32-7-15-36(16-8-32)48(55)56)39(31-5-13-35(14-6-31)47(53)54)27-43(44)61-23-19-57-17-21-59-41/h1-16,25-28H,17-24H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)
    • InChI Key： BNYWIYSTROPLRD-UHFFFAOYSA-N
    • SMILES： O1CCOCCOC2C=C(C3C=CC(C(=O)O)=CC=3)C(C3C=CC(C(=O)O)=CC=3)=CC=2OCCOCCOC2C=C(C3C=CC(C(=O)O)=CC=3)C(C3C=CC(C(=O)O)=CC=3)=CC1=2

Computed Properties

  • Exact Mass: 840.24180595g/mol
  • Monoisotopic Mass: 840.24180595g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 8
  • Complexity: 1220
  • 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: 7.6
  • Topological Polar Surface Area: 205

TBADB-18 Cr6 Pricemore >>

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