Basic information
- CAS
149913-57-5- Standard SMILES
CCO[C@@H]1CCN2C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1O- InChIKey
LKROYUIKMLNPCJ-HOTMZDKISA-N- Molecular formula
- C10H19NO4
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.13140809
Names & identifiers
- Preferred name
- (1S,2R,7R,8S,8aS)-7-ethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
- IUPAC
- (1S,2R,7R,8S,8aS)-7-ethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
- English name
- 1,2,8-Indolizinetriol,7-ethoxyoctahydro-,[1S-(1alpha,2alpha,7bta,8bta,8abta)]-(9CI)
- Molecular formula
- C10H19NO4
- Molecular weight
- 217.26
Names & synonyms
1,2,8-Indolizinetriol, 7-ethoxyoctahydro-, [1S-(1α,2α,7β,8β,8aβ)]- (9CI)1,2,8-Indolizinetriol,7-ethoxyoctahydro-,[1S-(1alpha,2alpha,7bta,8bta,8abta)]-(9CI)
Database identifiers
- CAS
149913-57-5- PubChem CID
- 131848626
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 382.5 · 382.5±42.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 13.74 · 13.74±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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