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Agistatin B

Agistatin B structure

Agistatin B 

structure
  • CAS No:

    144096-46-8

  • Formula:

    C11H18O4

  • Chemical Name:

    Agistatin B

  • Synonyms:

    Agistatine B;CTK8E7301;DTXSID30849505;AKOS025294507;(2S,4S,5S,6R)-6-Ethylhexahydro-2H-2,5-epoxy-1-benzopyran-4,4a(5H)-diol

Agistatin B Basic Attributes

214.25822

214.120509

DTXSID30849505

Characteristics

58.9

1.294±0.06 g/cm3(Predicted)

369.8±37.0 °C(Predicted)

Computed Properties

Molecular Weight:214.26
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:214.12050905
Monoisotopic Mass:214.12050905
Topological Polar Surface Area:58.9
Heavy Atom Count:15
Complexity:269
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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