Basic information
- CAS
136207-26-6- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O- InChIKey
UZDKQMIDSLETST-ZCFIWIBFSA-N- Molecular formula
- C14H14F5NO4
- Average molar mass
- 355.26 g/mol
- Monoisotopic mass
- 355.08429903
Overview
See also: D-Pentafluorophenylalanine, N-BOC protected (annotation moved to).
Names & identifiers
- Preferred name
- (R)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acid
- IUPAC
- (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
- English name
- Boc-D-pentafluorophenylalanine
- Molecular formula
- C14H14F5NO4
- Molecular weight
- 355.26
Names & synonyms
136207-26-6Boc-D-Pentafluorophenylalanine(R)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acidMFCD00151892C14H14F5NO4BOC-3-(PENTAFLUOROPHENYL)-D-ALANINEboc-pentafluoro-d-phe-oh(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acidboc-d-pentafluoropheboc-d-phe(f5)-ohBoc-DPhe(F5)-OH(2R)-2-(tert-butoxycarbonylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
Show more names
Boc-D-F5-PheBoc-D-Phe(5F)-OHBoc-D-Phe(F&I)-OHRARECHEM BK PT 0107Boc-D-Pentafluoro-phe-OHBOC-PENTAFLUORO-D-PHENYLALANINE
SCHEMBL29508226DTXSID90929296UZDKQMIDSLETST-ZCFIWIBFSA-NAKOS024464796AC-5838FS-5258SY032184Pentafluoro-D-phenylalanine, N-BOC protected
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 411.1 · 411.1±45.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- solid
- pka
- 3.7 · 3.70±0.20(Predicted)
- color
- Pale white
- Major Application
- peptide synthesis
- InChI
- 1S/C14H14F5NO4/c1-14(2,3)24-13(23)20-6(12(21)22)4-5-7(15)9(17)11(19)10(18)8(5)16/h6H,4H2,1-3H3,(H,20,23)(H,21,22)/t6-/m1/s1
- InChIKey
- UZDKQMIDSLETST-ZCFIWIBFSA-N
- SMILES
- CC(C)(C)OC(=O)N[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O
- CAS DataBase Reference
- 136207 · 136207-26-6(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant/Keep Cold
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesBOC-D-Pentafluorophenylalanine, is a Phenylalanine derivative, used in peptide chemistry.
Suppliers69 total
北京华美互利生物化工010-56205725 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
深圳市悦荣科技有限公司0755-36694831 13316862761 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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