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Mal-Cz

CAT: 0931-T86855-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86855-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2883232-96-8
Target
Others
Related Pathways
Others
Bioactivity
Mal-Cz, a maltose-derived fluorescence-on imaging probe, is utilized for detecting E. coli and Staphylococcus aureus [1].
Smiles
C(NCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(=O)C3=C(N4C=5C(C=6C4=CC=CC6)=CC=CC5)C(F)=C(N=[N+]=[N-])C(=C3F)N7C=8C(C=9C7=CC=CC9)=CC=CC8
Molecular Formula
C45H42F2N6O12
Molecular Weight
896.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mal-Cz
CAS Number2883232-96-8
PubChem CID169450786
IUPAC Name4-azido-2,5-di(carbazol-9-yl)-N-[2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethyl]-3,6-difluorobenzamide
Molecular FormulaC45H42F2N6O12
Molecular Weight896.8
XLogP4.1
Topological Polar Surface Area232
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count65
Formal Charge0
Complexity1630
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4F)N=[N+]=[N-])N5C6=CC=CC=C6C7=CC=CC=C75)F)C(=O)NCCO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O
InChI
InChI=1S/C45H42F2N6O12/c46-32-31(43(61)49-17-18-62-44-41(60)39(58)42(30(20-55)64-44)65-45-40(59)38(57)37(56)29(19-54)63-45)35(52-25-13-5-1-9-21(25)22-10-2-6-14-26(22)52)33(47)34(50-51-48)36(32)53-27-15-7-3-11-23(27)24-12-4-8-16-28(24)53/h1-16,29-30,37-42,44-45,54-60H,17-20H2,(H,49,61)/t29-,30-,37-,38+,39-,40-,41-,42-,44-,45-/m1/s1
InChIKey
ONXSHNFAHVAQSR-ILRZTQHASA-N
Chemical Structure
2D Structure
2D structure of Mal-Cz
CAS: 2883232-96-8
CID: 169450786
Formula: C45H42F2N6O12
MW: 896.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight896.8
XLogP34.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass896.28287712
Monoisotopic Mass896.28287712
Topological Polar Surface Area232 Ų
Heavy Atom Count65
Formal Charge0
Complexity1630
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