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DOTA-​NHS-​ester

CAT: 0013-GTR19202867-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202867-01Size:50 mg
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Description
DOTA-​NHS-​ester
CAS Number
170908-81-3
Product Name Alternative
Tumor, SKOV3, SPECT, tomography, single-photon, positron, PET, radiometal, inhibit, HSA, Inhibitor, emission, Antibody-drug conjugates linkers, cancer, ADC Linkers, ADCLinker, ADC Linker, DOTA​NHS​ester, DOTA-NHS-ester, DOTA ​NHS ​ester
Field of Research
Pharmacology & Drug Discovery
Purity
≥98% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.99 mM) ; DMSO:50 mg/mL (99.7 mM)
Smiles
OC (=O) CN1CCN (CC (O) =O) CCN (CC (=O) ON2C (=O) CCC2=O) CCN (CC (O) =O) CC1
Molecular Formula
C20H31N5O10
Molecular Weight
501.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetraxetan N-hydroxysuccinimide
CAS Number170908-81-3
PubChem CID11488945
IUPAC Name2-[4,10-bis(carboxymethyl)-7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular FormulaC20H31N5O10
Molecular Weight501.5
XLogP-8.9
Topological Polar Surface Area189
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity774
SMILES
C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C20H31N5O10/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33/h1-14H2,(H,28,29)(H,30,31)(H,32,33)
InChIKey
XSVWFLQICKPQAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetraxetan N-hydroxysuccinimide
CAS: 170908-81-3
CID: 11488945
Formula: C20H31N5O10
MW: 501.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.5
XLogP3-8.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass501.20709220
Monoisotopic Mass501.20709220
Topological Polar Surface Area189 Ų
Heavy Atom Count35
Formal Charge0
Complexity774
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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