Systematic Name: (4R)-4-(Benzyloxy)-1-(tert-butoxycarbonyl)-L-proline
Synonyms of Boc-O-benzyl-trans-4-hydroxy-L-proline (CAS NO.54631-81-1): 1,2-Pyrrolidinedicarboxylicacid,4-(phenylmethoxy)-,1-(1,1-dimethylethyl) ester, (2S,4R)- ; Boc-Hyp(Bzl)-OH
CAS NO: 54631-81-1
Molecular Formula: C₁₇H₂₃NO₅
Molecular Weight: 321.37
Molecular Structure:
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 76.07 Å²
Index of Refraction: 1.557
Molar Refractivity: 84.739 cm³
Molar Volume: 263.419 cm³
Surface Tension: 50.282 dyne/cm
Density: 1.22 g/cm³
Flash Point: 232.812 °C
Enthalpy of Vaporization: 76.093 kJ/mol
Boiling Point: 461.342 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Storage temp: Store at 0°C
SMILES: O=C(OC(C)(C)C)N2[C@H](C(=O)O)C[C@@H](OCc1ccccc1)C2
InChI: InChI=1/C17H23NO5/c1-17(2,3)23-16(21)18-10-13(9-14(18)15(19)20)22-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14+/m1/s1
InChIKey: DGIGGVANZFKXLS-KGLIPLIRBT
Std. InChI: InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-10-13(9-14(18)15(19)20)22-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14+/m1/s1
Std. InChIKey: DGIGGVANZFKXLS-KGLIPLIRSA-N
Product Categories of Boc-O-benzyl-trans-4-hydroxy-L-proline (CAS NO.54631-81-1): Amino Acid Derivatives;Amino Acids;Hydroxyproline [Hyp];Unusual Amino Acids;Boc-Amino acid series

WGK Germany: 3