Basic information
- CAS
205445-55-2- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)O- InChIKey
CWPLICWOIFEQMR-SNVBAGLBSA-N- Molecular formula
- C14H16F3NO4
- Average molar mass
- 319.28 g/mol
- Monoisotopic mass
- 319.10314265
Names & identifiers
- Preferred name
- Boc-D-3,4,5-trifluorophenylalanine
- IUPAC
- (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3,4,5-trifluorophenyl)propanoic acid
- English name
- Boc-D-3,4,5-trifluorophenylalanine
- Molecular formula
- C14H16F3NO4
- Molecular weight
- 319.28
Names & synonyms
205445-55-2BOC-D-3,4,5-TRIFLUOROPHENYLALANINEBoc-D-Phe(3,4,5-TriF)-OHMFCD007975593,4,5-Trifluoro-D-phenylalanine, N-BOC protectedD-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,4,5-trifluoro-N-Boc-3,4,5-trifluoro-D-phenylalanine(R)-2-((tert-Butoxycarbonyl)amino)-3-(3,4,5-trifluorophenyl)propanoic acid(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3,4,5-trifluorophenyl)propanoic acid3,4,5-Trifluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanineSCHEMBL21243768DTXSID30371199
Show more names
BOC-D-PHE(F)3-OHBOC-D-PHE(M,P-F3)-OHBOC-D-PHE(3,4,5-F 3)-OHBoc-D-Phe(3,4,5-DiF)-OHBoc-D-3,4,5-Trifluorophe-OHBOC-D-PHE(3,4,5-TRIFLUORO)-OHBOC-3,4,5-TRIFLUORO-D-PHENYLALANINE
AKOS015836535AS-72155SY064722N12534F010244N-(tert-Butoxycarbonyl)-3,4,5-trifluoro-D-phenylalanine(R)-2-(Boc-amino)-3-(3,4,5-trifluorophenyl)propanoic Acid(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4,5-trifluorophenyl)propanoic acid
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 424.4 · 424.4±45.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- storage temp.
- Keep Cold
- pka
- 3.71 · 3.71±0.10(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- CAS DataBase Reference
- 205445 · 205445-55-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- Hazard Codes
- Xi
- Hazard Note
- Harmful/Irritant/Keep Cold
- HazardClass
- IRRITANT
- 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_code
- Xi
- hazard_note
- Harmful/Irritant/Keep Cold
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers48 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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