2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione
Basic information
- CAS
102831-02-7- Standard SMILES
N[C@H]1[C@H](OCc2ccc3c(c2O)C(=O)c2c(O)cccc2C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
IVFRTBSFESQPQF-PUHZVXLXSA-N- Molecular formula
- C21H21NO9
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.12163125
Names & identifiers
- Preferred name
- 2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione
- IUPAC
- 2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,8-dihydroxyanthracene-9,10-dione
Names & synonyms
102831-02-72-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedioneDTXSID909080819,10-Anthracenedione, 2-(((2-amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-(1,8-Dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl 2-amino-2-deoxyhexopyranoside(1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl 2-amino-2-deoxy-beta-D-glucopyranoside
Database identifiers
- CAS
102831-02-7- PubChem CID
- 149169
- DTXSID
DTXSID90908081
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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