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DMT-locG (ib) Phosphoramidite

CAT: 0804-HY-49210-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-49210-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMT-locG (ib) Phosphoramidite is a phosphorite monomer that can be used in the synthesis of oligonucleotides.
CAS Number
206055-77-8
UNSPSC
12352005
Hazard Statement
H302-H315-H319
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/dmt-locg-ib-phosphoramidite.html
Solubility
10 mM in DMSO
Smiles
COC(C=C1)=CC=C1C(C2=CC=C(OC)C=C2)(C3=CC=CC=C3)OC[C@]4(CO5)[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H]5[C@H](N6C(N=C(NC(C(C)C)=O)NC7=O)=C7N=C6)O4
Molecular Formula
C45H54N7O9P
Molecular Weight
867.93
Precautions
P264-P270-P280-P302+P352-P330-P362+P364-P501
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

(1R,3R,4R,7S)-1-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-(2-isobutyramido-6-oxo-3H-purin-9(6H)-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl (2-cyanoethyl) diisopropylphosphoramidite
CAS Number206055-77-8
PubChem CID136760121
IUPAC NameN-[9-[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Molecular FormulaC45H54N7O9P
Molecular Weight867.9
XLogP5.2
Topological Polar Surface Area180
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Heavy Atom Count62
Formal Charge0
Complexity1560
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C45H54N7O9P/c1-28(2)40(53)49-43-48-39-36(41(54)50-43)47-27-51(39)42-37-38(61-62(59-24-12-23-46)52(29(3)4)30(5)6)44(60-42,25-57-37)26-58-45(31-13-10-9-11-14-31,32-15-19-34(55-7)20-16-32)33-17-21-35(56-8)22-18-33/h9-11,13-22,27-30,37-38,42H,12,24-26H2,1-8H3,(H2,48,49,50,53,54)/t37-,38+,42-,44-,62?/m1/s1
InChIKey
UUBFSNDSLDOIDQ-NIQOLRRHSA-N
Chemical Structure
2D Structure
2D structure of (1R,3R,4R,7S)-1-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-(2-isobutyramido-6-oxo-3H-purin-9(6H)-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl (2-cyanoethyl) diisopropylphosphoramidite
CAS: 206055-77-8
CID: 136760121
Formula: C45H54N7O9P
MW: 867.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight867.9
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Exact Mass867.37206332
Monoisotopic Mass867.37206332
Topological Polar Surface Area180 Ų
Heavy Atom Count62
Formal Charge0
Complexity1560
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T36756DMT-dG (ib) Phosphoramidite
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