(1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
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Basic information
- CAS
222529-90-0- Standard SMILES
N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21- InChIKey
QBHIOYZCUZBIEN-MDASVERJSA-N- Molecular formula
- C7H9NO4S
- Average molar mass
- 203.22 g/mol
Overview
See also: LY-389795 (annotation moved to).
Names & identifiers
- Preferred name
- (1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
- IUPAC
- (1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
- English name
- 2-Thiabicyclo[3.1.0]hexane-4,6-dicarboxylicacid,4-amino-,(1R,4S,5S,6S)-rel-(+)-(9CI)
- Molecular formula
- C7H9NO4S
- Molecular weight
- 203.21
Names & synonyms
(1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acidCHEMBL8839191471-53-1orb1700032SCHEMBL2450641DTXSID40436647BDBM50074750AKOS0407488502-Thiabicyclo[3.1.0]hexane-4,6-dicarboxylicacid,4-amino-,(1R,4S,5S,6S)-rel-(9CI)CS-0082917T279502-thia-4-aminobicyclo(3.1.0)hexane-4,6-dicarboxylic acid
Show more names
2-Thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, 4-amino-, (1R,4S,5S,6S)-rel-(+)-
4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxylic acid(1R,4S,5S,6S)-4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Database identifiers
- CAS
222529-90-0- Nikkaji
- J3.027.889E
Properties
Computed structural propertiesFilling in
- XLogP
- -3.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 444.7 · 444.7±45.0 °C(Predicted)
- Density
- 1.73 · 1.730±0.06 g/cm3(Predicted)
- pka
- 1.79 · 1.79±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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