Basic information
- CAS
2305416-16-2- Standard SMILES
C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cc(CO)c(=O)[nH]c1=O- InChIKey
VEMNJWUVHLVJOA-XCOQKUFESA-N- Molecular formula
- C32H28N2O10
- Average molar mass
- 600.6 g/mol
- Monoisotopic mass
- 600.17439509
Names & identifiers
- Preferred name
- 2',3',5'-Tri-O-benzoyl-5-hydroxymethyl-2'-C-methyluridine
- IUPAC
- [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]-4-methyloxolan-2-yl]methyl benzoate
- English name
- 2',3',5'-Tri-O-benzoyl-5-hydroxymethyl-2'--C-methyluridine
- Molecular formula
- C32H28N2O10
- Molecular weight
- 600.57
Names & synonyms
2305416-16-2orb1907894TNU11102',3',5'-Tri-O-benzoyl-5-hydroxymethyl-2'-C-methyluridineDA-49295NT1629902',3',5'-Tri-O-benzoyl-5-hydroxymethyl-2'C-methyluridine2a?3a?5a?Tri-O-benzoyl-5-hydroxymethyl-2a?I(2)-C-methyluridine(2R,3R,4R,5R)-5-((Benzoyloxy)methyl)-2-(5-(hydroxymethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-methyltetrahydrofuran-3,4-diyl dibenzoate[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]-4-methyloxolan-2-yl]methyl benzoate2’,3’,5’-Tri-O-benzoyl-5-hydroxymethyl-2’-C-methyluridine2',3',5'-Tri-O-benzoyl-5-hydroxymethyl-2'--C-methyluridine
Show more names
2’,3’,5’-Tri-O-benzoyl-5-hydroxymethyl-2’-β-C-methyluridine
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.10(Predicted)
Chemistry & industry
Applications
Uses2’,3’,5’-Tri-O-benzoyl-5-hydroxymethyl-2’-β-C-methyluridine is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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