Cas no 38886-82-7 (Pyrenesulfonic acid)

Pyrenesulfonic acid structure
Pyrenesulfonic acid structure
Product Name:Pyrenesulfonic acid
CAS No:38886-82-7
MF:C20H32O8
MW:400.463287353516
CID:292241
PubChem ID:169574
Update Time:2025-04-19

Pyrenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • Pyrenesulfonic acid
    • Pieristoxin G
    • 38886-82-7
    • NS00094725
    • PTX-G
    • 34206-60-5
    • DTXSID50276596
    • 7,9a-Methano-9aH-cyclopenta(b)heptalene-4,4a,8,10,11,11a,12(1H,5H)-heptol, 2,3-epoxydecahydro-1,1,4,8-tetramethyl-, (2R,3S,4ar,4S,4as,7R,8R,9ar,10S,11R,12R)-
    • (2S,3S,4R,6R,8S,9R,10S,11S,14S,15R,17S)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecane-2,3,4,10,11,15,17-heptol
    • Bisdeacylasebotoxin VII
    • Inchi： 1S/C20H32O8/c1-15(2)14-9(28-14)10-17(4,25)19(26)6-5-8-11(21)18(19,7-16(8,3)24)12(22)13(23)20(10,15)27/h8-14,21-27H,5-7H2,1-4H3/t8-,9-,10-,11-,12+,13+,14-,16+,17-,18?,19+,20-/m0/s1
    • InChI Key： XSEQBUVOXWTHGU-ZFSHFZNVSA-N
    • SMILES： O1[C@@H]2C(C)(C)[C@]3([C@@H]([C@H](C45C[C@](C)([C@@H](CC[C@]4([C@](C)([C@@H]3[C@H]12)O)O)[C@@H]5O)O)O)O)O

Computed Properties

  • Exact Mass: 282.0351
  • Monoisotopic Mass: 400.20971797g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 0
  • Complexity: 744
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.3
  • Topological Polar Surface Area: 154?2

Experimental Properties

  • PSA: 54.37

Pyrenesulfonic acid Related Literature

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