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| CAS No.: | 3918-90-9 |
|---|---|
| Name: | H-PHE-VAL-OH |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C14H20N2O3 |
| Molecular Weight: | 264.324 |
| Synonyms: | L-Phenylalanyl-L-valine;(2S)-2-{[(2S)-2-Ammonio-3-phenylpropanoyl]amino}-3-methylbutanoate; |
| Density: | 1.166 g/cm3 |
| Boiling Point: | 509 °C at 760 mmHg |
| Flash Point: | 261.7 °C |
| PSA: | 92.42000 |
| LogP: | 1.87300 |
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- Total:18 Page 1 of 1 1
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Specification
The L-Valine,L-phenylalanyl-, with the CAS registry number 3918-90-9, is also known as L-Phenylalanyl-L-valine. It belongs to the product categories of Dipeptides; Dipeptides and Tripeptides; Peptides. This chemical's molecular formula is C14H20N2O3 and molecular weight is 264.32. What's more, its systematic name is (2S)-2-{[(2S)-2-Ammonio-3-phenylpropanoyl]amino}-3-methylbutanoate.
Physical properties of L-Valine,L-phenylalanyl- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 57.61 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 72.19 cm3; (9)Molar Volume: 226.6 cm3; (10)Polarizability: 28.62×10-24 cm3; (11)Surface Tension: 48.6 dyne/cm; (12)Density: 1.166 g/cm3; (13)Flash Point: 261.7 °C; (14)Enthalpy of Vaporization: 82.07 kJ/mol; (15)Boiling Point: 509 °C at 760 mmHg; (16)Vapour Pressure: 3.48E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH3+])C(C)C
(2)InChI: InChI=1/C14H20N2O3/c1-9(2)12(14(18)19)16-13(17)11(15)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
(3)InChIKey: IEHDJWSAXBGJIP-RYUDHWBXBK