N,N'-Bis(9-fluorenylmethyloxycarbonyl)-L-histidine (98929-98-7)

The systematic name of N,N'-Bis(9-fluorenylmethyloxycarbonyl)-L-histidine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(9H-fluoren-9-ylmethoxycarbonyl)imidazol-4-yl]propanoic acid . With the CAS registry number 98929-98-7, it is also named as Fmoc-L-His(fmoc)-OH ; Fmoc-Histidine(Fmoc)-OH ; Nim-di-Fmoc-L-Histidine ; N-alpha,N-tau-di-(9-fluorenylmethoxycarbonyl)-L-histidine ; N,1-Bis[(9H-fluoren-9-ylmethoxy)carbonyl]-L-histidine ; L-Histidine, N,1-bis[(9H-fluoren-9-ylmethoxy)carbonyl]- .

The product's categories are Amino Acids, Histidine [His, H], Fmoc-Amino Acids and Derivatives and Fmoc-Amino acid series. It must be stored at the temperature of -15°C. N,N'-Bis(9-fluorenylmethyloxycarbonyl)-L-histidine can be used in the peptide synthesis. It is toxic by inhalation, in contact with skin and if swallowed. It is also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So people should not breathe dust and must avoid contact with skin and eyes. If you want to contact this product, you must wear suitable protective clothing and gloves.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.94 ; (2)# of Rule of 5 Violations: 2 ; (3)ACD/LogD (pH 5.5): 4.59 ; (4)ACD/LogD (pH 7.4): 3.3 ; (5)#H bond acceptors: 9 #H bond donors: 2 ; (6)#Freely Rotating Bonds: 10 ; (7)Index of Refraction: 1.696 ; (8)Molar Refractivity: 166.87 cm³ ; (9)Molar Volume: 433.6 cm³ ; (10)Polarizability: 66.15×10^-24 cm³ ; (11)Surface Tension: 57.7 dyne/cm.

People can use the following data to convert to the molecule structure. SMILES: O=C(OCC3c1ccccc1c2ccccc23)n7cc(C[C@H](NC(=O)OCC6c4ccccc4c5ccccc56)C(O)=O)nc7; InChI: InChI=1/C36H29N3O6/c40-34(41)33(38-35(42)44-19-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)17-22-18-39(21-37-22)36(43)45-20-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,18,21,31-33H,17,19-20H2,(H,38,42)(H,40,41)/t33-/m0/s1.