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DMTr-TNA-U-amidite

CAT: 0804-HY-154445Size: 1 EachDry Ice: NoHazardous: No
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Description
DMTr-TNA-U-amidite is a phosphorite monomer that can be used in the synthesis of oligonucleotides.
CAS Number
325683-95-2
UNSPSC
12352005
Target
DNA/RNA Synthesis
Type
Oligonucleotides
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dmtr-tna-u-amidite.html
Solubility
10 mM in DMSO
Smiles
CC(C)N(C(C)C)P(O[C@@H]1[C@@H](OC(C2=CC=CC=C2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)CO[C@H]1N5C(NC(C=C5)=O)=O)OCCC#N
Molecular Formula
C38H45N4O8P
Molecular Weight
716.76
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

DMTr-TNA-U amidite
CAS Number325683-95-2
PubChem CID101221381
IUPAC Name3-[[(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC38H45N4O8P
Molecular Weight716.8
XLogP4.9
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count51
Formal Charge0
Complexity1170
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](CO[C@H]1N2C=CC(=O)NC2=O)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C38H45N4O8P/c1-26(2)42(27(3)4)51(48-24-10-22-39)50-35-33(25-47-36(35)41-23-21-34(43)40-37(41)44)49-38(28-11-8-7-9-12-28,29-13-17-31(45-5)18-14-29)30-15-19-32(46-6)20-16-30/h7-9,11-21,23,26-27,33,35-36H,10,24-25H2,1-6H3,(H,40,43,44)/t33-,35+,36+,51?/m0/s1
InChIKey
CTMYNQLRHZTTLF-YPQZKSMWSA-N
Chemical Structure
2D Structure
2D structure of DMTr-TNA-U amidite
CAS: 325683-95-2
CID: 101221381
Formula: C38H45N4O8P
MW: 716.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight716.8
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass716.29750140
Monoisotopic Mass716.29750140
Topological Polar Surface Area132 Ų
Heavy Atom Count51
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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