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DNA 5-Ethynyl (TIPS) -U amidite

CAT: 0804-HY-178651Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-178651Size:1 Each
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Description
DNA 5-Ethynyl (TIPS) -U amidite is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
1472616-97-9
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
CC(C)[Si](C(C)C)(C(C)C)C#CC(C(N1)=O)=CN([C@@H]2O[C@H](COC(C3=CC=C(C=C3)OC)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)[C@@H](O[P@](OCCC#N)N(C(C)C)C(C)C)C2)C1=O
Molecular Formula
C50H67N4O8PSi
Molecular Weight
911.15
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

DMTr-5-Ethynyl-TIPS-dU-3'-CE-Phosphoramidite
CAS Number1472616-97-9
PubChem CID72737336
IUPAC Name3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[2-tri(propan-2-yl)silylethynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC50H67N4O8PSi
Molecular Weight911.1
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Heavy Atom Count64
Formal Charge0
Complexity1610
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C50H67N4O8PSi/c1-34(2)54(35(3)4)63(60-29-16-28-51)62-45-31-47(53-32-39(48(55)52-49(53)56)27-30-64(36(5)6,37(7)8)38(9)10)61-46(45)33-59-50(40-17-14-13-15-18-40,41-19-23-43(57-11)24-20-41)42-21-25-44(58-12)26-22-42/h13-15,17-26,32,34-38,45-47H,16,29,31,33H2,1-12H3,(H,52,55,56)/t45-,46+,47+,63?/m0/s1
InChIKey
CCVQXLLQYFTKGP-KSJPBEHZSA-N
Chemical Structure
2D Structure
2D structure of DMTr-5-Ethynyl-TIPS-dU-3'-CE-Phosphoramidite
CAS: 1472616-97-9
CID: 72737336
Formula: C50H67N4O8PSi
MW: 911.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight911.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Exact Mass910.44657864
Monoisotopic Mass910.44657864
Topological Polar Surface Area132 Ų
Heavy Atom Count64
Formal Charge0
Complexity1610
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