(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol hydrochloride
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Basic information
- CAS
220329-21-5- Standard SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](O)C[C@H]2N.Cl- InChIKey
SSDFIAWVPNQCFV-BZUDZRPRSA-N- Molecular formula
- C8H16ClNO3
- Average molar mass
- 209.67 g/mol
- Monoisotopic mass
- 209.0818711
Names & identifiers
- Preferred name
- (3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol hydrochloride
- IUPAC
- (3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol;hydrochloride
- English name
- interMediates of Ticagrelor
- Molecular formula
- C8H16ClNO3
- Molecular weight
- 209.67054
Names & synonyms
220329-21-5(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol hydrochloride2135331-24-5rel-(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol hydrochloride(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol;hydrochloride(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-ol hydrochlorideSCHEMBL4560608(3AR,4S,6R,6AS)-6-AMINO-2,2-DIMETHYLTETRAHYDRO-4H-CYCLOPENTA[D][1,3]DIOXOL-4-OL HCLinterMediates of Ticagrelor(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-cyclopenta[1,3]dioxol-4-ol hydrochloride
Database identifiers
- CAS
220329-21-5- PubChem CID
- 69093115
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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