Basic information
- CAS
122857-57-2- Standard SMILES
Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]2O)c(=O)[nH]c1=O- InChIKey
XYMZBTFKUMWINB-OHSXHVKISA-N- Molecular formula
- C29H28N2O5
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.199822
Names & identifiers
- Preferred name
- 1-(3-Deoxy-5-O-trityl-beta-D-threo-pentofuranosyl)thymine
- IUPAC
- 1-[(2R,3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
Trityl-pentofuranosyl-T1-(3-Deoxy-5-O-trityl-beta-D-threo-pentofuranosyl)thymine122857-57-2DTXSID701537391-(3-Deoxy-5-O-trityl-.beta.-D-threo-pentofuranosyl)thymine1-[(2R,3S,5S)-3-hydroxy-5-(trityloxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-[3-Deoxy-5-O-(triphenylmethyl)-beta-D-threo-pentofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
122857-57-2- PubChem CID
- 453040
- DTXSID
DTXSID70153739
Properties
Computed structural properties
- XLogP
- 3.7
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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