CAS No.86123-11-7,Fmoc-D-tryptophan Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	86123-11-7
Name:	Fmoc-D-tryptophan
Article Data:	2

Formula:	C₂₆H₂₂N₂O₄
Molecular Weight:	426.472
Synonyms:	(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate;Fmoc-D-Trp-OH;N-α-Fmoc-D-tryptophan;
EINECS:	1533716-785-6
Density:	1.35 g/cm³
Melting Point:	182-185 °C(lit.)
Boiling Point:	711.9 °C at 760 mmHg
Flash Point:	384.3 °C
Appearance:	beige powder
Safety:	22-24/25
PSA:	91.42000
LogP:	5.09320

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Specification

The IUPAC name of Fmoc-D-tryptophan is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate. With the CAS registry number 86123-11-7, it is also named as N-(9-fluorenylmethoxycarbonyl)-D-tryptophan. The product's categories are Amino Acids; Tryptophan [Trp, W]; Fmoc-Amino Acids and Derivatives; Amino Acids (N-Protected); Biochemistry; Fmoc-Amino Acids; Fmoc-Amino Acid Series. Besides, it is beige powder, which should be stored in closed, dry place at 2-8 °C. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C₂₆H₂₂N₂O₄ and its molecular weight is 426.47.

The other characteristics of Fmoc-D-tryptophan can be summarized as: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 73.91; (6)ACD/BCF (pH 7.4): 2.1; (7)ACD/KOC (pH 5.5): 211.09; (8)ACD/KOC (pH 7.4): 6; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 60.77 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 120.67 cm³; (15)Molar Volume: 315.8 cm³; (16)Polarizability: 47.84×10^-24cm³; (17)Surface Tension: 65.2 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 384.3 °C; (20)Melting point: 182-185 °C; (21)Enthalpy of Vaporization: 109.28 kJ/mol; (22)Boiling Point: 711.9 °C at 760 mmHg; (23)Vapour Pressure: 2.87E-21 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc5c4ccccc4nc5
(2)InChI: InChI=1/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)/t24-/m1/s1
(3)InChIKey: MGHMWKZOLAAOTD-XMMPIXPABX
(4)Std. InChI: InChI=1S/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)/t24-/m1/s1
(5)Std. InChIKey: MGHMWKZOLAAOTD-XMMPIXPASA-N