5891-45-2,MFCD00077016
Catalog No.:AA00EAV3

5891-45-2 | Z-Glu-otbu

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$22.00   $16.00
- +
10g
97%
in stock  
$34.00   $24.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EAV3
Chemical Name:
Z-Glu-otbu
CAS Number:
5891-45-2
Molecular Formula:
C17H23NO6
Molecular Weight:
337.3676
MDL Number:
MFCD00077016
SMILES:
O=C(N[C@H](C(=O)OC(C)(C)C)CCC(=O)O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
437  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Upstream Synthesis Route

[1]Patent:US6291469,2001,B1,

[1]JournaloftheChemicalSociety.Perkintransactions1,1968,vol.10,p.1219-1224

[2]JournaloftheAmericanChemicalSociety,1993,vol.115,#15,p.6646-6651

[3]TetrahedronLetters,2003,vol.44,#28,p.5251-5253

[4]Patent:WO2004/50084,2004,A2,.Locationinpatent:Page/Pagecolumn57;59

[1]JournalofMedicinalChemistry,1991,vol.34,#3,p.956-968

[2]JournalofMedicinalChemistry,1990,vol.33,#2,p.461-464

[1]JournalofMedicinalChemistry,1991,vol.34,#3,p.956-968

[2]JournalofMedicinalChemistry,1990,vol.33,#2,p.461-464

[1]JournalofMedicinalChemistry,1991,vol.34,#3,p.956-968

[2]JournalofMedicinalChemistry,1990,vol.33,#2,p.461-464

Downstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1961,vol.646,p.127-133

[1]JustusLiebigsAnnalenderChemie,1961,vol.646,p.127-133

[1]JournaloftheChemicalSociety.PerkintransactionsI,1968,vol.10,p.1219-1224

[2]JournaloftheAmericanChemicalSociety,1993,vol.115,p.6646-6651

[3]TetrahedronLetters,2003,vol.44,p.5251-5253

[4]Patent:WO2004/50084,2004,A2.Locationinpatent:Page/Pagecolumn57;59

[1]JustusLiebigsAnnalenderChemie,1961,vol.646,p.127-133

[1]ChemistryLetters,1974,p.631-634

Literature
Quotation Request
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Additional Info:
SDS
Tags:5891-45-2 Molecular Formula|5891-45-2 MDL|5891-45-2 SMILES|5891-45-2 Z-Glu-otbu
Catalog No.: AA00EAV3
5891-45-2,MFCD00077016
5891-45-2 | Z-Glu-otbu
Pack Size: 1g
Purity: 97%
in stock
$7.00 $5.00
Pack Size: 5g
Purity: 97%
in stock
$22.00 $16.00
Pack Size: 10g
Purity: 97%
in stock
$34.00 $24.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00EAV3
Chemical Name: Z-Glu-otbu
CAS Number: 5891-45-2
Molecular Formula: C17H23NO6
Molecular Weight: 337.3676
MDL Number: MFCD00077016
SMILES: O=C(N[C@H](C(=O)OC(C)(C)C)CCC(=O)O)OCc1ccccc1
Properties
Complexity: 437  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 10  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Upstream Synthesis Route
5891-45-2    45120-30-7 

[1]Patent:US6291469,2001,B1,

57732-63-5    5891-45-2 

[1]JournaloftheChemicalSociety.Perkintransactions1,1968,vol.10,p.1219-1224

[2]JournaloftheAmericanChemicalSociety,1993,vol.115,#15,p.6646-6651

[3]TetrahedronLetters,2003,vol.44,#28,p.5251-5253

[4]Patent:WO2004/50084,2004,A2,.Locationinpatent:Page/Pagecolumn57;59

81470-51-1    5891-45-2 

[1]JournalofMedicinalChemistry,1991,vol.34,#3,p.956-968

[2]JournalofMedicinalChemistry,1990,vol.33,#2,p.461-464

1155-62-0    5891-45-2 

[1]JournalofMedicinalChemistry,1991,vol.34,#3,p.956-968

[2]JournalofMedicinalChemistry,1990,vol.33,#2,p.461-464

32159-21-0    5891-45-2 

[1]JournalofMedicinalChemistry,1991,vol.34,#3,p.956-968

[2]JournalofMedicinalChemistry,1990,vol.33,#2,p.461-464

Downstream Synthesis Route
6456-74-2    5891-45-2    97261-93-3 

[1]JustusLiebigsAnnalenderChemie,1961,vol.646,p.127-133

6456-74-2    5891-45-2    103673-94-5 

[1]JustusLiebigsAnnalenderChemie,1961,vol.646,p.127-133

57732-63-5    5891-45-2 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1968,vol.10,p.1219-1224

[2]JournaloftheAmericanChemicalSociety,1993,vol.115,p.6646-6651

[3]TetrahedronLetters,2003,vol.44,p.5251-5253

[4]Patent:WO2004/50084,2004,A2.Locationinpatent:Page/Pagecolumn57;59

5891-45-2    22728-88-7    104979-31-9 

[1]JustusLiebigsAnnalenderChemie,1961,vol.646,p.127-133

16881-41-7    5891-45-2 

[1]ChemistryLetters,1974,p.631-634

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