Structure Info
- Chemspace ID
- CSSS02125607615 (In-Stock Screening Compounds)
- MFCD
- MFCD31746996
- IUPAC Name
- 1,8-dihydroxy-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9,10-dihydroanthracene-9,10-dione
- Mol formula
- C21H20O10
- Mol weight
- 432 Da
- Catalog Number(s)
- ACA48889, ArZ-UP481417, BD01096639, CFN91110, E88679, FS-7251, HY-N5111, T29888, TN1371, ZX-CY003193
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.07
- Heavy atoms count
- 31
- Rotatable bond count
- 4
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 174
- Hydrogen bond acceptors count
- 10
- Hydrogen bond donors count
- 6
- Zoom the structure
- CSSS02125607615
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