Basic information
- CAS
51885-01-9- Standard SMILES
CC(=O)OC[C@H]1O[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
IHHMHEJEWLLMLL-SWBPCFCJSA-N- Molecular formula
- C20H23NO11S
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-nitrophenyl)sulfanyloxan-2-yl]methyl acetate
- IUPAC
- [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-nitrophenyl)sulfanyloxan-2-yl]methyl acetate
- English name
- 4'-Nitrophenyl-2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannopyranosid
- Molecular formula
- C20H23NO11S
- Molecular weight
- 485.46
Names & synonyms
4'-Nitrophenyl-2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannopyranosidα-D-Mannopyranoside, 4-nitrophenyl 1-thio-, 2,3,4,6-tetraacetate
Database identifiers
- CAS
51885-01-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 747
Physicochemical properties
- Melting point
- 134 · 134-136 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
- Boiling point
- 575.4 · 575.4±50.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…