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PC Azido-PEG3-NHS carbonate ester

CAT: 0931-TYD-01946-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-01946-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1802907-96-5
Bioactivity
PC Azido-PEG3-NHS carbonate ester is a photo-cleavable linker. It can be utilized for labeling proteins, amine-modified oligonucleotides, and other primary amine (-NH2) containing molecules.
Smiles
[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCCOC=1C=C(C(=CC1OC)C(OC(=O)ON2C(=O)CCC2=O)C)N(=O)=O
Molecular Formula
C26H36N6O13
Molecular Weight
640.596
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PC Azido-PEG3-NHS carbonate ester
CAS Number1802907-96-5
PubChem CID102514783
IUPAC Name1-[4-[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate
Molecular FormulaC26H36N6O13
Molecular Weight640.6
XLogP1.4
Topological Polar Surface Area208
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count23
Heavy Atom Count45
Formal Charge0
Complexity1010
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])OC)OC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C26H36N6O13/c1-18(44-26(36)45-31-24(34)5-6-25(31)35)19-16-21(39-2)22(17-20(19)32(37)38)43-9-3-4-23(33)28-7-10-40-12-14-42-15-13-41-11-8-29-30-27/h16-18H,3-15H2,1-2H3,(H,28,33)
InChIKey
WXTJIVONHOCWFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PC Azido-PEG3-NHS carbonate ester
CAS: 1802907-96-5
CID: 102514783
Formula: C26H36N6O13
MW: 640.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.6
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count23
Exact Mass640.23403522
Monoisotopic Mass640.23403522
Topological Polar Surface Area208 Ų
Heavy Atom Count45
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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