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Chemical structure of 5-PA-dUTP

GC70654

5-PA-dUTP

Also known as [[(2R,3S,5R)-5-[5-(3-aminoprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

5-PA-dUTP (5-Propargylamino-dUTP) is a C5-modified nucleotide and can be incorporated into DNA nanoparticles (DNPs) for photosensitizer delivery

ChemicalCAS179101-49-6MW521.2FormulaC12H18N3O14P3
CAS number
179101-49-6
Molecular weight
521.2
Formula
C12H18N3O14P3
Solubility
H2O ： 125 mg/mL (239·83 mM; Need ultrasonic)
InChIKey
BGGIMXKBIBMKBL-IVZWLZJFSA-N
Catalogue number
GC70654
Brand
GLPBIO
Computed properties PubChem CID 18664765 · XLogP -8.4 · TPSA 265 Ų · H-bond donors 7
XLogP
-8.4
TPSA
265 Ų
H-bond donors
7
H-bond acceptors
15
Rotatable bonds
9
Heavy atoms
32

SMILES C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Computed descriptors from PubChem (CID 18664765), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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