CID 7010359
Basic information
- CAS
257288-48-5- Standard SMILES
[NH3+][C@H](CSCC1c2ccccc2-c2ccccc21)C(=O)[O-]- InChIKey
SFRBQYRAZQGDPW-MRXNPFEDSA-N- Molecular formula
- C17H17NO2S
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.09799996
Names & identifiers
- Preferred name
- CID 7010359
- IUPAC
- (2S)-2-azaniumyl-3-(9H-fluoren-9-ylmethylsulfanyl)propanoate
- English name
- H-D-Cys(Fm)-OH
- Molecular formula
- C17H17NO2S
- Molecular weight
- 299.39
Names & synonyms
H-D-Cys(Fm)-OHD-CYSTEINE(FM)-OHS-FLUORENYLMETHYL-D-CYSTEINES-(9-Fluorenylmethyl)-D-Cysteines-((9h-Fluoren-9-yl)methyl)-d-cysteineD-Cysteine, S-(9H-fluoren-9-ylmethyl)-S-9-FLUORENYLMETHYL-D-L-CYSTEINE HYDROCHLORIDE(2S)-2-amino-3-(9~{H}-fluoren-9-ylmethylsulfanyl)propanoic acid
Database identifiers
- CAS
257288-48-5- PubChem CID
- 7010359
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 521.5 · 521.5±50.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 2.06 · 2.06±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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