[(2R,3R)-2,3-dihydroxy-3-[(1R)-1-hydroxy-2-oxoethyl]-5-trimethylsilylpent-4-ynyl] 4-chlorobenzoate
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Basic information
- CAS
199787-18-3- Standard SMILES
C[Si](C)(C)C#C[C@@](O)([C@H](O)COC(=O)c1ccc(Cl)cc1)[C@@H](O)C=O- InChIKey
SRMSWEVLECWYEX-UXLLHSPISA-N- Molecular formula
- C17H21ClO6Si
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.0795926
Names & identifiers
- Preferred name
- [(2R,3R)-2,3-dihydroxy-3-[(1R)-1-hydroxy-2-oxoethyl]-5-trimethylsilylpent-4-ynyl] 4-chlorobenzoate
- IUPAC
- [(2R,3R)-2,3-dihydroxy-3-[(1R)-1-hydroxy-2-oxoethyl]-5-trimethylsilylpent-4-ynyl] 4-chlorobenzoate
- English name
- 5-O-(P-CHLOROBENZOYL)-3-C-(2-TRIMETHYLSILYLETHYNYL)-D-RIBOFURANOSE
- Molecular formula
- C17H21ClO6Si
- Molecular weight
- 384.88
Names & synonyms
5-O-(P-CHLOROBENZOYL)-3-C-(2-TRIMETHYLSILYLETHYNYL)-D-RIBOFURANOSE5-O-(4-Chlorobenzoyl)-3-C-(2-trimethylsilylethynyl)-D-ribofuranoseD-Ribose, 3-C-[(trimethylsilyl)ethynyl]-, 5-(4-chlorobenzoate) (9CI)
Database identifiers
- CAS
199787-18-3- PubChem CID
- 131875632
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Melting point
- 130 · 130~132℃ (dec.)
- Boiling point
- 541.477 · 541.477±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.51 · 11.510±0.29(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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