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23316-67-8,MFCD00136146
Catalog No.:AA00I4GZ

23316-67-8 | D-Allononitrile, 2,5-anhydro-, 3,4,6-tribenzoate

Pack Size
Purity
Availability
Price(USD)
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250mg
98.0% (HPLC)
in stock  
$215.00   $150.00
- +
1g
95%
in stock  
$288.00   $202.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I4GZ
Chemical Name:
D-Allononitrile, 2,5-anhydro-, 3,4,6-tribenzoate
CAS Number:
23316-67-8
Molecular Formula:
C27H21NO7
Molecular Weight:
471.4581
MDL Number:
MFCD00136146
SMILES:
N#C[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
787  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Rotatable Bond Count:
10  
XLogP3:
4.5  

Downstream Synthesis Route

[1]Smellie,IainA.S.;Paton,R.Michael[ARKIVOC,2012,vol.2012,#9,p.49-61,13]

[2]Albrecht,H.P.etal.[JournalofOrganicChemistry,1973,vol.38,p.1836-1840]

[1]Nucleosides,nucleotidesandnucleicacids,2004,vol.23,p.715-724

[2]TetrahedronLetters,2002,vol.43,p.6561-6562

[3]NucleosidesandNucleotides,1999,vol.18,p.2425-2431

[1]ChemicalCommunications,2006,p.2720-2721

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:23316-67-8 Molecular Formula|23316-67-8 MDL|23316-67-8 SMILES|23316-67-8 D-Allononitrile, 2,5-anhydro-, 3,4,6-tribenzoate