(2S,4R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-fluoropentanedioic acid
Basic information
- CAS
2580103-53-1- Standard SMILES
O=C(N[C@@H](C[C@@H](F)C(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
FRADBSUKYLFNIF-SJORKVTESA-N- Molecular formula
- C20H18FNO6
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.11181546
Names & identifiers
- Preferred name
- (2S,4R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-fluoropentanedioic acid
- IUPAC
- (2S,4R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-fluoropentanedioic acid
Names & synonyms
2580103-53-1(2S,4R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-fluoropentanedioic acid(2S,4R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-fluoropentanedioic acid(2S,4R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-fluoropentanedioicacid(2S,4R)-2-N-Fmoc-4-fluoropentanedioic acidEN300-27726869
Database identifiers
- CAS
2580103-53-1- PubChem CID
- 165887331
- EC Number
- 172-060-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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