1-(2-Deoxy-5-O-(triphenylmethyl)pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
7791-71-1- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O- InChIKey
FZDHVUVGQXVYOP-JIMJEQGWSA-N- Molecular formula
- C29H28N2O5
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.199822
Names & identifiers
- Preferred name
- 1-(2-Deoxy-5-O-(triphenylmethyl)pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 5'-O-Tritylthymidine
- Molecular formula
- C29H28N2O5
- Molecular weight
- 484.54
Names & synonyms
DTXSID408641281-(2-Deoxy-5-O-(triphenylmethyl)pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione1-[2-Deoxy-5-O-(triphenylmethyl)pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dioneRefChem:1053960DTXCID6013984745'-O-Tritylthymidine7791-71-1MFCD000384621-((2R,4S,5R)-4-Hydroxy-5-((trityloxy)methyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dioneMonotritylthymidine1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Show more names
5'-O-Trt-dT5''-O-TRITYLTHYMIDINE(5-OTT)5’-o-(triphenylmethyl)-thymidin5'-o-(Triphenylmethyl)thymidine
Trt-dT5'-O-Trt-deoxythymidine5'-Trt-2'-deoxythymidine1-[(2R,4S,5R)-4-hydroxy-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione5'-O-Triphenylmethylthymidineorb1705911SCHEMBL17275375'-O-(Triphenylmetyl)thymidine
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 765
Physicochemical properties
- Melting point
- 125 °C · 125 °C(Solv: acetone (67-64-1); ethyl ether (60-29-7))
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 9.55 · 9.55±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5'-O-Tritylthymidine is an inhibitor of TK-2 and inhibits angiogenesis[1]. 5'-O-Tritylthymidine targets FAK-Mdm-2 interactions, decreasing cell viability and increasing apoptosis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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