Basic information
- CAS
29581-48-4- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2OC3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1- InChIKey
USEPKWIFYVGUCA-JQKXYWIWSA-N- Molecular formula
- C22H26O7S
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.13992434
Names & identifiers
- Preferred name
- Xylofuranose, benzyl isopropylidene, toluenesulf
- IUPAC
- [(5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate
- English name
- 1-O,2-O-Isopropylidene-3-O-benzyl-5-O-tosyl-α-D-xylofuranose
- Molecular formula
- C22H26O7S
- Molecular weight
- 434.5
Names & synonyms
29581-48-4Xylofuranose, benzyl isopropylidene, toluenesulfDTXSID909520643-O-Benzyl-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-D-xylofuranose3-O-Benzyl-5-O-(4-methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)pentofuranose1-O,2-O-Isopropylidene-3-O-benzyl-5-O-tosyl-α-D-xylofuranose1-O,2-O-Isopropylidene-3-O-benzyl-α-D-xylofuranose 4-methylbenzenesulfonateα-D-Xylofuranose, 1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-, 5-(4-methylbenzenesulfonate)4-Methylbenzenesulfonic acid 3-O-phenylmethyl-1-O,2-O-(isopropylidene)-5-deoxy-α-D-xylofuranos-5-yl ester
Database identifiers
- CAS
29581-48-4- PubChem CID
- 34641
- DTXSID
DTXSID90952064
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Boiling point
- 553.6 · 553.6±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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