Basic information
- CAS
3061-91-4- Standard SMILES
CC(C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]- InChIKey
VEYJKJORLPYVLO-RYUDHWBXSA-N- Molecular formula
- C14H20N2O4
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.14230712
Overview
See also: Val-Tyr (preferred).
Names & identifiers
- Preferred name
- (2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate
- IUPAC
- (2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate
- English name
- H-Val-Tyr-OH
- Molecular formula
- C14H20N2O4
- Molecular weight
- 280.32
Names & synonyms
VAL-TYRVYL-Val-L-TyrH-Val-Tyr-OHVal-L-Tyr, L-L-Tyrosine, L-valyl-(S)-2-((S)-2-Amino-3-methylbutanamido)-3-(4-hydroxyphenyl)propanoic acid
Database identifiers
- CAS
3061-91-4- PubChem CID
- 7009554
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
LogP-1.14
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 245 · 245 - 248oC
- Boiling point
- 555.1 · 555.1±50.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Aqueous Acid (Slightly), DMSO (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- 3.02 · 3.02±0.10(Predicted)
- color
- White to Off-White
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesH-Val-Tyr-OH is an endogenous metabolite.
Suppliers95 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
北京阿克曼科技有限公司18001219251 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
Sichuan Jiaying Lai Technology Co.,LTD18716376478 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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