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Home > Encyclopedia > β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl

β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl

β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl structure

β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl 

structure
  • CAS No:

    261506-28-9

  • Formula:

    C38H55F5O9S

  • Chemical Name:

    β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl

  • Synonyms:

    β-D-Glucopyranosiduronic acid,(7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl

β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl Basic Attributes

782.89

782.89

DTXSID60573528

Characteristics

1.37±0.1 g/cm3

858.9±65.0 °C(Predicted)

2.82±0.70

β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl Use and Manufacturing

A metabolite of Fulvestrant (F862500).

Computed Properties

Molecular Weight:782.9
XLogP3:7.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:17
Exact Mass:782.34869531
Monoisotopic Mass:782.34869531
Topological Polar Surface Area:173
Heavy Atom Count:53
Complexity:1230
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl

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