BOC-(R)-3-AMINO-5-PHENYLPENTANOIC ACID

IUPAC Name: (3R)-3-Amino-6-[(2-methylpropan-2-yl)oxy]-6-oxo-5-phenylhexanoic acid
Synonyms of (R)-3-(Boc-amino)-5-phenylpentanoic acid (CAS NO.218608-83-4): (3R)-3-[(tert-Butoxycarbonyl)amino]-5-phenylpentanoic acid ; (R)-3-tert-Butoxycarbonylamino-5-phenylpentanoic acid ; Boc-5-phenyl-D-beta-norvaline
CAS NO: 218608-83-4
Molecular Formula: C₁₆H₂₃NO₄
Molecular Weight: 293.36
Molecular Structure:
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 8
Polar Surface Area: 55.84 Å²
Index of Refraction: 1.521
Molar Refractivity: 79.72 cm³
Molar Volume: 261.6 cm³
Surface Tension: 42.7 dyne/cm
Density: 1.121 g/cm³
Flash Point: 240.8 °C
Enthalpy of Vaporization: 77.74 kJ/mol
Boiling Point: 474.6 °C at 760 mmHg
Vapour Pressure: 8.18E-10 mmHg at 25°C
SMILES: O=C(OC(C)(C)C)N[C@H](CCc1ccccc1)CC(=O)O
InChI: InChI=1/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKey: MYWZFJXOLAXENE-CYBMUJFWBW
Std. InChI: InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
Std. InChIKey: MYWZFJXOLAXENE-CYBMUJFWSA-N
Product Categories of (R)-3-(Boc-amino)-5-phenylpentanoic acid (CAS NO.218608-83-4): 3-Amino-4-phenylbutanoic Acid Analogs;B-Amino

Safety Statements: 22-24/25
S22: Do not breathe dust. 
S24/25:When (R)-3-(Boc-amino)-5-phenylpentanoic acid (CAS NO.218608-83-4) is used,avoid contact with skin and eyes.
WGK Germany: 3
F: 10
HazardClass: IRRITANT