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Home > Encyclopedia > 4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester

4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester

4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester structure

4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester 

structure
  • CAS No:

    40766-50-5

  • Formula:

    C27H39NO9

  • Chemical Name:

    4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester

  • Synonyms:

    Keitaoine

4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester Basic Attributes

521.59986

521.262

Characteristics

138

2.5

Computed Properties

Molecular Weight:521.6
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:521.26248182
Monoisotopic Mass:521.26248182
Topological Polar Surface Area:138
Heavy Atom Count:37
Complexity:790
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester

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