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Home > Encyclopedia > (1S,4aS,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-({[(methyls ulfanyl)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyr an-4-carboxylic acid

(1S,4aS,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-({[(methyls ulfanyl)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyr an-4-carboxylic acid

(1S,4aS,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-({[(methyls ulfanyl)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyr an-4-carboxylic acid structure

(1S,4aS,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-({[(methyls ulfanyl)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyr an-4-carboxylic acid 

structure
  • CAS No:

    18842-98-3

  • Formula:

    C18H24O12S

  • Chemical Name:

    (1S,4aS,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-({[(methyls ulfanyl)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyr an-4-carboxylic acid

  • Synonyms:

    paederosidic acid;

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

(1S,4aS,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-({[(methyls ulfanyl)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyr an-4-carboxylic acid Basic Attributes

464.44100

464.09884737

Characteristics

217.74000

-1.83940

1.68g/cm3

748.091ºC at 760 mmHg

406.231ºC

1.666

0mmHg at 25°C

Drug Information

paederosidic acid

Computed Properties

Molecular Weight:464.4
XLogP3:-2.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:464.09884737
Monoisotopic Mass:464.09884737
Topological Polar Surface Area:218
Heavy Atom Count:31
Complexity:754
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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