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D-Phenylalanine,4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

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Name

D-Phenylalanine,4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

EINECS N/A
CAS No. 268731-06-2 Density 1.245 g/cm3
PSA 113.96000 LogP 6.02750
Solubility N/A Melting Point N/A
Formula C30H32N2O6 Boiling Point 734.3 °C at 760 mmHg
Molecular Weight 516.58 Flash Point 397.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 268731-06-2 (FMOC-D-4-AMINOMETHYLPHENYLALANINE(BOC)) Hazard Symbols IrritantXi
Synonyms

(R)-3-[4-[[(tert-Butoxycarbonyl)amino]methyl]phenyl]-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]propionicacid;N-alpha-9-fluorenylmethoxycarbonyl-d-[4-methylamino-(n-t-butoxycarbonyl)] phenylalanine;Fmoc-d-phe(4-ch2nhboc)-OH;Fmoc-(boc-4-aminomethyl)-D-phenylalanine;

 

D-Phenylalanine,4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- Specification

The CAS register number of D-Phenylalanine,4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- is 268731-06-2. It also can be called as Fmoc-(boc-4-aminomethyl)-D-phenylalanine and the systematic name about this chemical is 4-{[(tert-butoxycarbonyl)amino]methyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine. The molecular formula about this chemical is C30H32N2O6 and the molecular weight is 516.58. It belongs to the following product categories which include Phenylalanine analogs and other aromatic alpha amino acids and so on. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes. The storage temperature is 0-5 °C.

Physical properties about D-Phenylalanine,4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 175.14; (6)ACD/BCF (pH 7.4): 6.53; (7)ACD/KOC (pH 5.5): 344.52; (8)ACD/KOC (pH 7.4): 12.85; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 85.38 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 141.81 cm3; (15)Molar Volume: 414.6 cm3; (16)Polarizability: 56.22x10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 397.9 °C; (20)Enthalpy of Vaporization: 112.46 kJ/mol; (21)Boiling Point: 734.3 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-22 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCc1ccc(cc1)C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C30H32N2O6/c1-30(2,3)38-28(35)31-17-20-14-12-19(13-15-20)16-26(27(33)34)32-29(36)37-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t26-/m1/s1
(3)InChIKey: QSPDPKLGXGMDAY-AREMUKBSBU
(4)Std. InChI: InChI=1S/C30H32N2O6/c1-30(2,3)38-28(35)31-17-20-14-12-19(13-15-20)16-26(27(33)34)32-29(36)37-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t26-/m1/s1
(5)Std. InChIKey: QSPDPKLGXGMDAY-AREMUKBSSA-N

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