Basic information
- Standard SMILES
COc1ccc(C(OC[C@@]2(COS(=O)(=O)c3ccc(C)cc3)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O)[C@H]2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
JMCVJMNFJPUOKC-VZPNVXMMSA-N- Molecular formula
- C46H46N2O11S
- Average molar mass
- 834.9 g/mol
Names & identifiers
- Preferred name
- 1-(3-O-Benzyl-5-O-(4,4'-dimethoxytrityl)-4-C-(p-toluenesulphonyloxymethyl)-beta-D-Xylofuranosyl)thymine
- IUPAC
- [(2S,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL5663877JMCVJMNFJPUOKC-VZPNVXMMSA-N1-(3-O-Benzyl-5-O-(4,4'-dimethoxytrityl)-4-C-(p-toluenesulphonyloxymethyl)-beta-D-Xylofuranosyl)thymine
Database identifiers
- PubChem CID
- 10653072
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,530
Related reactions
2 records
Compound notes
Loading…