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Home > Encyclopedia > (-)-EMtricitabine O-β-D-Glucuronide

(-)-EMtricitabine O-β-D-Glucuronide

(-)-EMtricitabine O-β-D-Glucuronide structure

(-)-EMtricitabine O-β-D-Glucuronide 

structure
  • CAS No:

    152128-78-4

  • Formula:

    C14H18FN3O9S

  • Chemical Name:

    (-)-EMtricitabine O-β-D-Glucuronide

  • Synonyms:

    Emtricitabine-2"-o-glucuronide;UNII-A05BWI66K0;A05BWI66K0;Emtricitabine O-|A-D-Glucuronide;Emtricitabine o-beta-D-glucuronide;DTXSID40438762;ZINC38653239;beta-D-Glucopyranosiduronic acid, (5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl)methyl, (2R-cis);Q27273454;(2S,3S,4S,5R,6R)-6-[[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(-)-EMtricitabine O-β-D-Glucuronide Basic Attributes

423.3708232

423.075

A05BWI66K0

DTXSID40438762

Characteristics

210

-2.2

2.06±0.1 g/cm3(Predicted)

736.1±70.0 °C(Predicted)

(-)-EMtricitabine O-β-D-Glucuronide Use and Manufacturing

A metabolite of (-)-Emtricitabine (E525000).

Computed Properties

Molecular Weight:423.37
XLogP3:-2.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:423.07477850
Monoisotopic Mass:423.07477850
Topological Polar Surface Area:210
Heavy Atom Count:28
Complexity:708
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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