CAS No.117666-94-1,BOC-D-BPA-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	117666-94-1
Name:	BOC-D-BPA-OH

Formula:	C₂₁H₂₃NO₅
Molecular Weight:	369.41
Synonyms:	N-(tert-butoxycarbonyl)-4-(phenylcarbonyl)-D-phenylalanine;(2R)-3-(4-Benzoylphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid;4-Benzoyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine;D-phenylalanine, 4-benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-;N-(tert-Butoxycarbonyl)-4-(phenylcarbonyl)-D-phenylalanin;N-(tert-Butoxycarbonyl)-4-(phenylcarbonyl)-D-phenylalanine;Boc-4-benzoyl-D-phenylalanine;Boc-D-4-Benzoylalanine;
Density:	1.204 g/cm³
Boiling Point:	561.424 °C at 760 mmHg
Flash Point:	293.339 °C

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Specification

The Boc-D-4-benzoylphenylalanine, with the CAS registry number 117666-94-1, has the systematic name of N-(tert-butoxycarbonyl)-4-(phenylcarbonyl)-D-phenylalanine. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; a-amino. And it should be stored at 2-8°C. The molecular formula of the chemical is C₂₁H₂₃NO₅.

The characteristics of Boc-D-4-benzoylphenylalanine are as followings: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 3.98; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.84; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 100.25 cm³; (15)Molar Volume: 306.7 cm³; (16)Polarizability: 39.74×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.204 g/cm³; (19)Flash Point: 293.3 °C; (20)Enthalpy of Vaporization: 88.83 kJ/mol; (21)Boiling Point: 561.4 °C at 760 mmHg; (22)Vapour Pressure: 1.93E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccc(cc1)C(=O)c2ccccc2
(2)InChI: InChI=1/C21H23NO5/c1-21(2,3)27-20(26)22-17(19(24)25)13-14-9-11-16(12-10-14)18(23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m1/s1
(3)InChIKey: HIQJNYPOWPXYIC-QGZVFWFLBT