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PbTx 3

PbTx 3 structure

PbTx 3 

structure
  • CAS No:

    85079-48-7

  • Formula:

    C50H72O14

  • Chemical Name:

    PbTx 3

  • Synonyms:

    Brevetoxin B,42-deoxo-42-hydroxy-;1H-Pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[3,2-b]pyrano[2′′′′′′,3′′′′′′:5′′′′′,6′′′′′]pyrano[2′′′′′,3′′′′′:5′′′′,6′′′′]pyrano[2′′′′,3′′′′:6′′′,7′′′]oxepino[2′′′,3′′′:6′′,7′′]oxepino[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[2,3-g]oxocin,brevetoxin B deriv.;42-Deoxo-42-hydroxybrevetoxin B;GB 3;Brevetoxin T 17;T 17;GB 3 toxin;Dihydrobrevetoxin B;T 17 toxin;Brevetoxin PbTx 3;PbTx 3;Ptychodiscusbrevis toxin 3;Brevetoxin 3;106955-89-9

PbTx 3 Basic Attributes

897.1

897.10

Characteristics

159

1.190±0.06 g/cm3(Predicted)

Safety Information

6.1(a)

3172

Drug Information

brevetoxin GB-3

Computed Properties

Molecular Weight:897.1
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:3
Exact Mass:896.49220697
Monoisotopic Mass:896.49220697
Topological Polar Surface Area:159
Heavy Atom Count:64
Complexity:1910
Undefined Atom Stereocenter Count:23
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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