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DNP-PEG8-NHS ester

CAT: 0013-GTR19265748-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265748-02Size:50 mg
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Description
DNP-PEG8-NHS ester is a PEG derivative that includes DNP (2,4-dinitrophenylamine), eight PEG units, and an NHS ester. The NHS ester can form covalent bonds with molecules containing amino groups, such as proteins and antibodies. DNP-PEG8-NHS ester is applicable in drug delivery.
CAS Number
1369489-00-8
Smiles
O=C (ON1C (=O) CCC1=O) CCOCCOCCOCCOCCOCCOCCOCCOCCNC2=CC=C (C=C2N (=O) =O) N (=O) =O
Molecular Formula
C29H44N4O16
Molecular Weight
704.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,5-Dioxopyrrolidin-1-yl 1-((2,4-dinitrophenyl)amino)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate
CAS Number1369489-00-8
PubChem CID168439824
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC29H44N4O16
Molecular Weight704.7
XLogP-0.1
Topological Polar Surface Area241
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Heavy Atom Count49
Formal Charge0
Complexity950
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C29H44N4O16/c34-27-3-4-28(35)31(27)49-29(36)5-7-41-9-11-43-13-15-45-17-19-47-21-22-48-20-18-46-16-14-44-12-10-42-8-6-30-25-2-1-24(32(37)38)23-26(25)33(39)40/h1-2,23,30H,3-22H2
InChIKey
JINKSEMNQLMOQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dioxopyrrolidin-1-yl 1-((2,4-dinitrophenyl)amino)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate
CAS: 1369489-00-8
CID: 168439824
Formula: C29H44N4O16
MW: 704.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight704.7
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Exact Mass704.27523133
Monoisotopic Mass704.27523133
Topological Polar Surface Area241 Ų
Heavy Atom Count49
Formal Charge0
Complexity950
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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