L-Phenylalanine, L-b-aspartyl- supplier

Name
H-ASP(PHE-OH)-OH
EINECS 236-558-9
CAS No. 13433-10-8
Density 1.371 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆N₂O₅
Boiling Point 606.9 °C at 760 mmHg
Molecular Weight 280.28
Flash Point 320.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-L-b-Aspartyl-3-phenyl-L-alanine;
PSA 129.72000
LogP 0.69170

L-Phenylalanine, L-b-aspartyl- Specification

The L-Phenylalanine, L-b-aspartyl-, with the CAS registry number of 13433-10-8, is also known as N-L-b-Aspartyl-3-phenyl-L-alanine. Its EINECS registry number is 236-558-9. Its molecular formula is C₁₃H₁₆N₂O₅ and molecular weight is 280.28. What's more, its IUPAC name is (3S)-3-Amino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid.

Physical properties about the L-Phenylalanine, L-b-aspartyl- are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.97; (4)ACD/LogD (pH 7.4): -3.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 76.15 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 69.17 cm³; (15)Molar Volume: 204.4 cm³; (16)Surface Tension: 66.2 dyne/cm; (17)Density: 1.371 g/cm³; (18)Flash Point: 320.8 °C; (19)Enthalpy of Vaporization: 94.84 kJ/mol; (20)Boiling Point: 606.9 °C at 760 mmHg; (21)Vapour Pressure: 1.4E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)CC(=O)N[C@H](C(=O)O)Cc1ccccc1
(2) InChI: InChI=1/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10-/m0/s1
(3) InChIKey: KDGAYJIGGCDHPH-UWVGGRQHBF

Product Name

H-ASP(PHE-OH)-OH

L-Phenylalanine, L-b-aspartyl- Specification

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