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1811539-32-8,MFCD30720900
Catalog No.:AA01ENH9

1811539-32-8 | 3,6-Di-1-azetidinyl-9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]xanthylium,innersalt

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contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01ENH9
Chemical Name:
3,6-Di-1-azetidinyl-9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]xanthylium,innersalt
CAS Number:
1811539-32-8
Molecular Formula:
C31H25N3O7
Molecular Weight:
551.5461
MDL Number:
MFCD30720900
SMILES:
O=C(c1ccc(c(c1)c1c2ccc(=[N+]3CCC3)cc2oc2c1ccc(c2)N1CCC1)C(=O)[O-])ON1C(=O)CCC1=O
Properties
Computed Properties
 
Complexity:
1230  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Literature

Title: Jonathan B Grimm, et al. Synthesis of Janelia Fluor HaloTag and SNAP-Tag Ligands and Their Use in Cellular Imaging Experiments. Methods Mol Biol. 2017;1663:179-188.

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SDS
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Tags:1811539-32-8 Molecular Formula|1811539-32-8 MDL|1811539-32-8 SMILES|1811539-32-8 3,6-Di-1-azetidinyl-9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]xanthylium,innersalt
Catalog No.: AA01ENH9
1811539-32-8,MFCD30720900
1811539-32-8 | 3,6-Di-1-azetidinyl-9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]xanthylium,innersalt
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA01ENH9
Chemical Name: 3,6-Di-1-azetidinyl-9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]xanthylium,innersalt
CAS Number: 1811539-32-8
Molecular Formula: C31H25N3O7
Molecular Weight: 551.5461
MDL Number: MFCD30720900
SMILES: O=C(c1ccc(c(c1)c1c2ccc(=[N+]3CCC3)cc2oc2c1ccc(c2)N1CCC1)C(=O)[O-])ON1C(=O)CCC1=O
Properties
Complexity: 1230  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 41  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
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