Basic information
- CAS
102830-99-9- Standard SMILES
N[C@H]1[C@H](OCc2ccc3c(c2O)C(=O)c2ccccc2C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
CIVVCVLPGSAYLX-XSZHUPSFSA-N- Molecular formula
- C21H21NO8
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.12671663
Names & identifiers
- Preferred name
- 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedione
- IUPAC
- 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-hydroxyanthracene-9,10-dione
Names & synonyms
102830-99-92-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-9,10-anthracenedioneDTXSID309080809,10-Anthracenedione, 2-(((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1-hydroxy-(1-Hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl 2-amino-2-deoxyhexopyranoside(1-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl 2-amino-2-deoxy-beta-D-glucopyranoside
Database identifiers
- CAS
102830-99-9- PubChem CID
- 149167
- DTXSID
DTXSID30908080
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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