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DNA 5-Ethynyl (TIPS) -U amidite

CAT: 0013-GTR19279859-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279859-01Size:50 mg
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Description
DNA 5-Ethynyl (TIPS) -U amidite is a monomer precursor utilized in nucleic acid synthesis.
CAS Number
1472616-97-9
Smiles
C (OC[C@@H]1[C@@H] (O[P@@] (N (C (C) C) C (C) C) OCCC#N) C[C@@H] (O1) N2C=C (C#C[Si] (C (C) C) (C (C) C) C (C) C) C (=O) NC2=O) (C3=CC=C (OC) C=C3) (C4=CC=C (OC) C=C4) C5=CC=CC=C5
Molecular Formula
C50H67N4O8PSi
Molecular Weight
911.17
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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