Basic information
- CAS
198473-94-8- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)O- InChIKey
CDPGKTTZDRPESV-LBPRGKRZSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- Boc-hotyr-OH
- IUPAC
- (2S)-4-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- Boc-homo-L-tyrosine
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
198473-94-8BOC-HOTYR-OHBoc-homo-L-tyrosineBoc-Homotyr-OHBOC-HOMO-TYROSINEMFCD03095573Boc-HTyr-OH(S)-a-(Boc-amino)-4-hydroxybenzenebutanoic acid(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-(4-hydroxyphenyl)butanoic acid(2S)-4-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acidBoc-L-HomoTyrosine (Boc-L-hTyr-OH)(S)-2-((tert-Butoxycarbonyl)amino)-4-(4-hydroxyphenyl)butanoic acid
Show more names
Boc-L-HomoTyrosineBOC-HOMO-L-TYROSINE USP/EP/BP(S)-2-TERT-BUTOXYCARBONYLAMINO-4-(4-HYDROXY-PHENYL)-BUTYRIC ACID(S)-2-((tert-butoxycarbonyl)amino)-4-(4-hydroxyphenyl)butanoicacid
Benzenebutanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, (alphaS)-(S)-2-(Boc-amino)-4-(4-hydroxyphenyl)butanoic AcidSCHEMBL3773563DTXSID50654299(2S)-2-[(tert-Butoxycarbonyl)amino]-4-(4-hydroxyphenyl)butanoic acidAKOS015909868DS-7495AC-10487
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 495.3 · 495.3±40.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.98 · 3.98±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 198473 · 198473-94-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers42 total
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海缤马科技有限公司15262241608 · [email protected]
ChemPep, Inc.+1 (888) 615-9178 / (561) 791-8787 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
深圳市奇美克生物科技有限公司13692196024 · [email protected]
上海研纷生化科技有限公司13611955358 15002190549 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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