CAS No.135610-90-1,N-Fmoc-N'-trityl-D-histidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135610-90-1
Name:	N-Fmoc-N'-trityl-D-histidine

Formula:	C₄₀H₃₃N₃O₄
Molecular Weight:	619.71
Synonyms:	Fmoc-D-His(Trt)-OH;N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-im-trityl-D-histidine;
Density:	1.24 g/cm³
Melting Point:	141-146°C
Boiling Point:	811.7 °C at 760 mmHg
Flash Point:	444.7 °C
PSA:	93.45000
LogP:	7.64860

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Specification

The Fmoc-D-His(Trt)-OH is an organic compound with the formula C₄₀H₃₃N₃O₄. The systematic name of this chemical is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid. With the CAS registry number 135610-90-1, it is also named as N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1-trityl-D-histidine. The product's categories are Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino acid series. Besides, it should be stored in a closed cool and dry place at temperature of -20 °C.

Physical properties about Fmoc-D-His(Trt)-OH are: (1)ACD/LogP: 8.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.56; (4)ACD/LogD (pH 7.4): 4.71; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 93.45 Å²; (9)Index of Refraction: 1.656; (10)Molar Refractivity: 183.59 cm³; (11)Molar Volume: 499.4 cm³; (12)Polarizability: 72.78×10^-24cm³; (13)Surface Tension: 51.8 dyne/cm; (14)Density: 1.24 g/cm³; (15)Flash Point: 444.7 °C; (16)Enthalpy of Vaporization: 123.72 kJ/mol; (17)Boiling Point: 811.7 °C at 760 mmHg; (18)Vapour Pressure: 7.59E-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4cn(cn4)C(c5ccccc5)(c6ccccc6)c7ccccc7
(2)InChI: InChI=1/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m1/s1
(3)InChIKey: XXMYDXUIZKNHDT-DIPNUNPCBE
(4)Std. InChI: InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m1/s1
(5)Std. InChIKey: XXMYDXUIZKNHDT-DIPNUNPCSA-N