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6-JOE, SE

CAT: 0804-HY-D1089Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-D1089Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-JOE, SE is an amine-reactive fluorescent probe and is suitable for postsynthetic labeling of amino-modified oligonucleotides[1].
CAS Number
113394-23-3
UNSPSC
12171500
Hazard Statement
H302-H315-H319-H335
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/6-joe-se.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(C2(C3=C(OC4=C2C=C(OC)C(O)=C4Cl)C(Cl)=C(O)C(OC)=C3)O5)=C(C=C1)C5=O)ON6C(CCC6=O)=O
Molecular Formula
C27H17Cl2NO11
Molecular Weight
602.33
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Tsybulsky DA, et al. 4',5'-Dichloro-2',7'-dimethoxy-5 (6) -carboxyfluorescein (JOE) : synthesis and spectral properties of oligonucleotide conjugates. J Org Chem. 2012 Jan 20;77 (2) :977-84.
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

6-Joe SE

See also: Dichlorodimethoxycarboxyfluorescein-NHS ester (annotation moved to).

CAS Number113394-23-3
PubChem CID44625907
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate
Molecular FormulaC27H17Cl2NO11
Molecular Weight602.3
XLogP3.6
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity1060
SMILES
COC1=C(C(=C2C(=C1)C3(C4=CC(=C(C(=C4O2)Cl)O)OC)C5=C(C=CC(=C5)C(=O)ON6C(=O)CCC6=O)C(=O)O3)Cl)O
InChI
InChI=1S/C27H17Cl2NO11/c1-37-15-8-13-23(19(28)21(15)33)39-24-14(9-16(38-2)22(34)20(24)29)27(13)12-7-10(3-4-11(12)26(36)40-27)25(35)41-30-17(31)5-6-18(30)32/h3-4,7-9,33-34H,5-6H2,1-2H3
InChIKey
UUVBVONAGUSCCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Joe SE
CAS: 113394-23-3
CID: 44625907
Formula: C27H17Cl2NO11
MW: 602.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass601.0178657
Monoisotopic Mass601.0178657
Topological Polar Surface Area158 Ų
Heavy Atom Count41
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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