5'-O-(4,4'-Dimethoxytrityl)thymidine - CAS 40615-39-2
Catalog: |
BB024587 |
Product Name: |
5'-O-(4,4'-Dimethoxytrityl)thymidine |
CAS: |
40615-39-2 |
Synonyms: |
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]thymidine; 5'-O-(4,4'-Dimethoxytrityl)-2'-deoxythymidine; 5'-O-(Di-p-methoxytrityl)thymidine; 5'-O-(p,p'-Dimethoxytrityl)thymidine; 1-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione |
IUPAC Name: | 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione |
Description: | 5'-O-(4,4'-Dimethoxytrityl)thymidine is a compound useful in organic synthesis. |
Molecular Weight: | 544.59 |
Molecular Formula: | C31H32N2O7 |
Canonical SMILES: | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O |
InChI: | InChI=1S/C31H32N2O7/c1-20-18-33(30(36)32-29(20)35)28-17-26(34)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28,34H,17,19H2,1-3H3,(H,32,35,36)/t26-,27+,28+/m0/s1 |
InChI Key: | UBTJZUKVKGZHAD-UPRLRBBYSA-N |
Melting Point: | >130 °C (dec.) |
Purity: | ≥ 95 % |
Density: | 1.272 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White solid |
Storage: | Store at -20 °C |
LogP: | 3.51930 |
GHS Hazard Statement: | H315 (95.65%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020203902-A | Alkoxyphenyl derivatives, nucleoside protectors and nucleotide protectors, oligonucleotide production methods, and substituent removal methods | 20200818 |
WO-2021159078-A1 | Systems and methods for chemical synthesis on wafers | 20200207 |
WO-2021146391-A1 | Reagents and their use for modular enantiodivergent synthesis of câ€"p bonds | 20200116 |
WO-2021132589-A1 | Polynucleotide and medicinal composition | 20191226 |
US-2020216891-A1 | Nucleosides and nucleotides with 3'-hydroxy blocking groups | 20181226 |
PMID | Publication Date | Title | Journal |
21888545 | 20110701 | Nucleotides part LXXX: Synthesis of 3'-O fluorescence labeled thymidine derivatives and their 5'-O-triphosphates | Nucleosides, nucleotides & nucleic acids |
12213066 | 20020912 | Acyclic nucleoside analogues as novel inhibitors of human mitochondrial thymidine kinase | Journal of medicinal chemistry |
Complexity: | 879 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 544.22095136 |
Formal Charge: | 0 |
Heavy Atom Count: | 40 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 544.22095136 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 107 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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