(2S,4R,5R)-2,4-Dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2-carboxylic acid
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Basic information
- CAS
105369-74-2- Standard SMILES
O=C(O)[C@]1(O)C[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O1- InChIKey
ZHQPRSWAKSLIDY-FBXMPTEYSA-N- Molecular formula
- C8H14O8
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.0688674
Names & identifiers
- Preferred name
- (2S,4R,5R)-2,4-Dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2-carboxylic acid
- IUPAC
- (2S,4R,5R)-2,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2-carboxylic acid
- English name
- 3-Deoxy-β-D-manno-2-octulofuranosonic acid
- Molecular formula
- C8H14O8
- Molecular weight
- 238.19
Names & synonyms
105369-74-2(2S,4R,5R)-2,4-Dihydroxy-5-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydrofuran-2-carboxylic acid(2S,4R,5R)-2,4-Dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2-carboxylic acidSCHEMBL68175473-Deoxy-β-D-manno-2-octulofuranosonic acid
Database identifiers
- CAS
105369-74-2- PubChem CID
- 18655838
- Nikkaji
- J221.725B
Properties
Computed structural propertiesFilling in
- XLogP
- -2.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 668.174 · 668.174±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.841 · 1.841±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.353 · 2.353±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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