CAS No.114346-31-5,BOC-PHE(4-NHFMOC)-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114346-31-5
Name:	BOC-PHE(4-NHFMOC)-OH
Article Data:	1

Formula:	C₂₉H₃₀N₂O₆
Molecular Weight:	502.567
Synonyms:	BOC-PHE(4-NHFMOC)-OH
Density:	1.28 g/cm³
Boiling Point:	671 °C at 760 mmHg
Flash Point:	359.6 °C
PSA:	113.96000
LogP:	6.03190

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Specification

The L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, with its CAS registry number 114346-31-5, has the systematic name of N-(tert-butoxycarbonyl)-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-L-phenylalanine. With its molecular formula of C₂₉H₃₀N₂O₆ and the molecular weight of 502.56, it belongs to the product categories which include FMOC; Amino Acid Derivatives; Amino Acids; Peptide Synthesis; Phenylalanine Derivatives; Unnatural Amino Acid Derivatives.

The characteristics of L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-4-[[(9H-fluoren-9-ylmethoxy) are as follows: (1)ACD/LogP: 6.18; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 282.66; (6)ACD/BCF (pH 7.4): 8.77; (7)ACD/KOC (pH 5.5): 527.78; (8)ACD/KOC (pH 7.4): 16.38; (9)#H bond acceptors: 8; (10) #H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 85.38 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 138.28 cm³; (15)Molar Volume: 392.4 cm³; (16)Polarizability: 54.81×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 359.6 °C; (20)Enthalpy of Vaporization: 103.57 kJ/mol; (21)Boiling Point: 671 °C at 760 mmHg; (22)Vapour Pressure: 6.37E-19 mmHg at 25°C.

What's more, 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)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI:InChI=1/C29H30N2O6/c1-29(2,3)37-28(35)31-25(26(32)33)16-18-12-14-19(15-13-18)30-27(34)36-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/t25-/m0/s1
(3)InChIKey:ZKSJJSOHPQQZHC-VWLOTQADBX
(4)Std. InChI:InChI=1S/C29H30N2O6/c1-29(2,3)37-28(35)31-25(26(32)33)16-18-12-14-19(15-13-18)30-27(34)36-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/t25-/m0/s1
(5)Std. InChIKey:ZKSJJSOHPQQZHC-VWLOTQADSA-N