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NOTP

CAT: 0013-GTR19247988-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247988-01Size:250 mg
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Description
NOTP is a bifunctional chelator (Bifunctional Chelator; BFC) and a macrocyclic NOTA derivative designed for tumor pretargeting. It is suitable for conjugation with peptides and radionuclides.
CAS Number
83834-39-3
Smiles
O=P (O) (CN (CCN (CP (O) (O) =O) CC1) CCN1CP (O) (O) =O) O
Molecular Formula
C9H24N3O9P3
Molecular Weight
411.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4,7-Bis(phosphonomethyl)-1,4,7-triazonan-1-yl]methylphosphonic acid
CAS Number83834-39-3
PubChem CID3035916
IUPAC Name[4,7-bis(phosphonomethyl)-1,4,7-triazonan-1-yl]methylphosphonic acid
Molecular FormulaC9H24N3O9P3
Molecular Weight411.22
XLogP-11.9
Topological Polar Surface Area182
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity456
SMILES
C1CN(CCN(CCN1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C9H24N3O9P3/c13-22(14,15)7-10-1-2-11(8-23(16,17)18)5-6-12(4-3-10)9-24(19,20)21/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)
InChIKey
LLKJIZGVRHHRQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4,7-Bis(phosphonomethyl)-1,4,7-triazonan-1-yl]methylphosphonic acid
CAS: 83834-39-3
CID: 3035916
Formula: C9H24N3O9P3
MW: 411.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.22
XLogP3-11.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass411.07254034
Monoisotopic Mass411.07254034
Topological Polar Surface Area182 Ų
Heavy Atom Count24
Formal Charge0
Complexity456
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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