N-alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester
Basic information
- CAS
129046-87-3- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
RMRKPGGMJKNMSK-IBGZPJMESA-N- Molecular formula
- C23H25NO6
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.16818752
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester
- IUPAC
- (3S)-4-(9H-fluoren-9-ylmethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
- English name
- Boc-Asp-OFm
- Molecular formula
- C23H25NO6
- Molecular weight
- 411.45
Names & synonyms
129046-87-3BA-beta-FmeNalpha-Boc-asp-beta-fluorenylmethyl esterN-alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl esterRefChem:162861Boc-Asp-Ofm(S)-4-((9H-Fluoren-9-yl)methoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acidMFCD00151868(3S)-4-(9H-fluoren-9-ylmethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acidBoc-L-Asp-OFmBoc-L-aspartic acid a-9-fluorenylmethyl esterSCHEMBL8350965
Show more names
-4-((9H-Fluoren-9-yl)BOC-ASPARTIC ACID-OFMBOC-ASP-OFM USP/EP/BP-3-((tert-butoxycarbonyl)Boc-L-aspartic acid α-9-fluorenylmethyl esterBOC-L-ASPARTIC ACID ALPHA-9-FLUORENYLMETHYL ESTERN-Boc-L-Aspartic acid 1-(9H-fluoren-9-ylmethyl) esterfluoren-9-ylmethyl N-tert-butyloxycarbonyl-L-aspartate
SCHEMBL295111581-(9H-Fluoren-9-ylmethyl) N-((1,1-dimethylethoxy)carbonyl)-L-aspartateFB47900(3S)-3-(tert-butoxycarbonylamino)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-butanoic acidAS-89506SY274349G84130F577586
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- Melting point
- 138 · 138-142℃
- Boiling point
- 617.4 · 617.4±55.0 °C(Predicted)
- Density
- 1.251 · 1.251
- storage temp.
- 2 · 2-8°C
- pka
- 4.01 · 4.01±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBoc-Asp-OFm, is an aspartic acid derivative, that can be used in various chemical synthesis and peptide chemistry.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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