(1S,2R,5S,8R,8aR)-5-ethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
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Basic information
- CAS
149913-67-7- Standard SMILES
CCO[C@H]1CC[C@@H](O)[C@@H]2[C@H](O)[C@H](O)CN21- InChIKey
DGDHUJHIAUANJE-HOTMZDKISA-N- Molecular formula
- C10H19NO4
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.13140809
Names & identifiers
- Preferred name
- (1S,2R,5S,8R,8aR)-5-ethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
- IUPAC
- (1S,2R,5S,8R,8aR)-5-ethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
- English name
- 1,2,8-Indolizinetriol,5-ethoxyoctahydro-,[1S-(1alpha,2alpha,5bta,8bta,8abta)]-(9CI)
- Molecular formula
- C10H19NO4
- Molecular weight
- 217.26
Names & synonyms
1,2,8-Indolizinetriol,5-ethoxyoctahydro-,[1S-(1alpha,2alpha,5bta,8bta,8abta)]-(9CI)
Database identifiers
- CAS
149913-67-7- PubChem CID
- 131848627
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- 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
Related reactions
0 records
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Compound notes
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