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DMN-Tre

CAT: 0013-GTR19338809-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19338809-01Size:10 mg
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Description
DMN-Tre is a fluorescent dye utilized as a diagnostic tool for tuberculosis. It selectively labels the cell wall of mycobacteria through the action of the Ag85 enzyme. DMN-Tre is also applicable in infection studies.
CAS Number
2177287-88-4
Molecular Weight
564.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(dimethylamino)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]benzo[de]isoquinoline-1,3-dione
CAS Number2177287-88-4
PubChem CID178421240
IUPAC Name6-(dimethylamino)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]benzo[de]isoquinoline-1,3-dione
Molecular FormulaC26H32N2O12
Molecular Weight564.5
XLogP-2
Topological Polar Surface Area210
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity939
SMILES
CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)C[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
InChI
InChI=1S/C26H32N2O12/c1-27(2)13-7-6-12-16-10(13)4-3-5-11(16)23(36)28(24(12)37)8-14-17(30)19(32)21(34)25(38-14)40-26-22(35)20(33)18(31)15(9-29)39-26/h3-7,14-15,17-22,25-26,29-35H,8-9H2,1-2H3/t14-,15-,17-,18-,19+,20+,21-,22-,25-,26-/m1/s1
InChIKey
LSTRCDZWOCBLDC-OEZPJXQZSA-N
Chemical Structure
2D Structure
2D structure of 6-(dimethylamino)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]benzo[de]isoquinoline-1,3-dione
CAS: 2177287-88-4
CID: 178421240
Formula: C26H32N2O12
MW: 564.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.5
XLogP3-2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass564.19552446
Monoisotopic Mass564.19552446
Topological Polar Surface Area210 Ų
Heavy Atom Count40
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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