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38675-10-4

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Basic Information
CAS No.: 38675-10-4
Name: BOC-D-PHE-PRO-OH
Article Data: 10
Molecular Structure:
Molecular Structure of 38675-10-4 (BOC-D-PHE-PRO-OH)
Formula: C19H26N2O5
Molecular Weight: 362.426
Synonyms: BOC-D-PHE-L-PRO-OH;N-(tert-Butoxycarbonyl)-D-phenylalanyl-L-proline;
Density: 1.225 g/cm3
Melting Point: 171-174 °C
Boiling Point: 594.4 °C at 760 mmHg
Flash Point: 313.3 °C
PSA: 95.94000
LogP: 2.52680
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Specification

The L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl-, with the CAS registry number 38675-10-4, is also known as Boc-D-Phe-L-Pro-OH. This chemical's molecular formula is C19H26N2O5 and molecular weight is 362.42. What's more, its systematic name is N-(tert-butoxycarbonyl)-D-phenylalanyl-L-proline.

Physical properties of L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl- are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 94.9 cm3; (15)Molar Volume: 295.7 cm3; (16)Polarizability: 37.62×10-24cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.225 g/cm3; (19)Flash Point: 313.3 °C; (20)Enthalpy of Vaporization: 93.18 kJ/mol; (21)Boiling Point: 594.4 °C at 760 mmHg; (22)Vapour Pressure: 5.63E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2N(C(=O)[C@H](NC(=O)OC(C)(C)C)Cc1ccccc1)CCC2
(2)InChI: InChI=1S/C19H26N2O5/c1-19(2,3)26-18(25)20-14(12-13-8-5-4-6-9-13)16(22)21-11-7-10-15(21)17(23)24/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,20,25)(H,23,24)/t14-,15+/m1/s1
(3)InChIKey: ZPRHVPHDENDZTP-CABCVRRESA-N