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VUN 00829

CAT: 0013-GTR19210106-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210106-01Size:25 mg
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Description
VUN 00829 is a near-infrared fluorescent Cy5-PEG4 derivative featuring a terminal carboxylic acid for conjugation to amines via stable amide bonds. Its hydrophilic PEG spacer enhances aqueous solubility, making it suitable for in vitro labeling and in vivo imaging applications in biodistribution and pharmacokinetics studies due to its strong fluorescence.
CAS Number
2107273-32-3
Field of Research
Pharmacology & Drug Discovery
Smiles
[Cl-].COCCOCCOCCOCC[N+]1=C (C=CC=CC=C2N (CCOCCOCCOCCOCCC (O) =O) c3ccccc3C2 (C) C) C (C) (C) c2ccccc12
Molecular Formula
C45H65ClN2O10
Molecular Weight
829.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(m-PEG4)-N'-(PEG4-acid)-Cy5
CAS Number2107273-32-3
PubChem CID119058339
IUPAC Name3-[2-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid chloride
Molecular FormulaC45H65ClN2O10
Molecular Weight829.5
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Heavy Atom Count58
Formal Charge0
Complexity1280
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)O)(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C45H64N2O10.ClH/c1-44(2)37-13-9-11-15-39(37)46(20-23-52-28-31-56-34-33-54-26-25-50-5)41(44)17-7-6-8-18-42-45(3,4)38-14-10-12-16-40(38)47(42)21-24-53-29-32-57-36-35-55-30-27-51-22-19-43(48)49;/h6-18H,19-36H2,1-5H3;1H
InChIKey
VGWYWHBAFATVCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(m-PEG4)-N'-(PEG4-acid)-Cy5
CAS: 2107273-32-3
CID: 119058339
Formula: C45H65ClN2O10
MW: 829.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight829.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Exact Mass828.4327740
Monoisotopic Mass828.4327740
Topological Polar Surface Area117 Ų
Heavy Atom Count58
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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