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Alexa Fluor 680 NHS ester

CAT: 0804-HY-D2328Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-D2328Size:1 Each
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Description
Alexa Fluor 680 NHS ester (Alexa Fluor 680 succinimidyl ester) is a near-infrared (NIR) fluorescent dye. NHS esters can be used to label to the primary amines (R-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules (Ex/Em = 679/702 nm) [1].
CAS Number
407628-15-3
Product Name Alternative
Alexa Fluor 680 succinimidyl ester
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/alexa-fluor-680-nhs-ester.html
Smiles
O=C(CCCCCC1(C)C2=CC(S(=O)(O)=O)=CC=C2N(CCCS(=O)(O)=O)/C1=C\C=C\C=C\C3=NC4=[N+](CCCS(=O)([O-])=O)C=C(Br)C=C4C3(C)C)ON5C(CCC5=O)=O
Molecular Formula
C39H47BrN4O13S3
Molecular Weight
955.91
References & Citations
[1]Cheng KT, et al. Alexa Fluor 680-labeled transferrin-cationic (NBD-labeled DOPE-DOTAP) liposome-encapsulated gadopentetate dimeglumine complex. 2007 Oct 18 [updated 2007 Dec 17]. In: Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD) : National Center for Biotechnology Information (US) ; 2004-2013.
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Alexa Fluor 680 NHS ester
CAS Number407628-15-3
PubChem CID172407975
IUPAC Name3-[5-bromo-2-[(1E,3E,5Z)-5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3-methyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl]propane-1-sulfonate
Molecular FormulaC39H47BrN4O13S3
Molecular Weight955.9
XLogP3.7
Topological Polar Surface Area274
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Heavy Atom Count60
Formal Charge0
Complexity2040
SMILES
CC1(C2=C(N=C1/C=C/C=C/C=C\3/C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)CCCCCC(=O)ON5C(=O)CCC5=O)[N+](=CC(=C2)Br)CCCS(=O)(=O)[O-])C
InChI
InChI=1S/C39H47BrN4O13S3/c1-38(2)30-24-27(40)26-42(20-10-22-58(48,49)50)37(30)41-32(38)12-6-4-7-13-33-39(3,19-9-5-8-14-36(47)57-44-34(45)17-18-35(44)46)29-25-28(60(54,55)56)15-16-31(29)43(33)21-11-23-59(51,52)53/h4,6-7,12-13,15-16,24-26H,5,8-11,14,17-23H2,1-3H3,(H2-,48,49,50,51,52,53,54,55,56)
InChIKey
DWDNCUSFLUAVMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alexa Fluor 680 NHS ester
CAS: 407628-15-3
CID: 172407975
Formula: C39H47BrN4O13S3
MW: 955.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight955.9
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Exact Mass954.14851
Monoisotopic Mass954.14851
Topological Polar Surface Area274 Ų
Heavy Atom Count60
Formal Charge0
Complexity2040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T203214-01Alexa Fluor 430 NHS ester
T85622-01Alexa fluor 647 NHS ester
T85623-01Alexa Fluor 680 NHS ester
441128Alexa Fluor 568 NHS Ester discontinued
T211145-01Alexa Fluor 680 NHS ester diTEA
NBP2-98314AF488Rabbit Polyclonal Carboxyl Ester Lipase/CEL Antibody [Alexa Fluor 488]
NBP2-98314AF405Rabbit Polyclonal Carboxyl Ester Lipase/CEL Antibody [Alexa Fluor 405]
NBP2-98314AF647Rabbit Polyclonal Carboxyl Ester Lipase/CEL Antibody [Alexa Fluor 647]
NBP2-98314AF532Rabbit Polyclonal Carboxyl Ester Lipase/CEL Antibody [Alexa Fluor 532]
NBP2-98314AF594Rabbit Polyclonal Carboxyl Ester Lipase/CEL Antibody [Alexa Fluor 594]

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