Basic information
- CAS
85668-54-8- Standard SMILES
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]- InChIKey
AXPKTIFWSNCTCQ-YBXAARCKSA-N- Molecular formula
- C12H14N2O10
- Average molar mass
- 346.25 g/mol
- Monoisotopic mass
- 346.06484465
Names & identifiers
- Preferred name
- 3,4-Dinitrophenyl-beta-galactopyranoside
- IUPAC
- (2S,3R,4S,5R,6R)-2-(3,4-dinitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- 3,4-dinitrophenyl-beta-galactopyranoside
- Molecular weight
- 0
Names & synonyms
3,4-Dinitrophenyl-beta-galactopyranoside3,4-Dnp-gal85668-54-83,4-Dinitrophenyl beta-D-galactopyranosideDTXSID60234940RefChem:91234DTXCID90157431(2S,3R,4S,5R,6R)-2-(3,4-dinitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolSCHEMBL964792
Database identifiers
- CAS
85668-54-8- PubChem CID
- 135083
- DTXSID
DTXSID60234940
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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