Basic information
- CAS
102830-98-8- Standard SMILES
N[C@H]1[C@H](OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
CMLRSTAFLJYPDF-HVXMAHFMSA-N- Molecular formula
- C21H21NO7
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.13180201
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 2-(((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-
- IUPAC
- 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]anthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 2-(((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-102830-98-82-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-9,10-anthracenedioneDTXSID50145531(9,10-Dioxo-9,10-dihydroanthracen-2-yl)methyl 2-amino-2-deoxy-beta-D-glucopyranoside
Database identifiers
- CAS
102830-98-8- PubChem CID
- 149166
- DTXSID
DTXSID50145531
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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