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CAS No.: | 104091-08-9 |
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Name: | Fmoc-D-glutamic acid gamma-tert-butyl ester |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C24H27NO6 |
Molecular Weight: | 425.481 |
Synonyms: | N-(9-Fluorenylmethoxycarbonyl)-D-glutamicacid 5-tert-butyl ester;Fmoc-D-Glu(OtBu)-OH;(2R)-5-tert-butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid (non-preferred name);D-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester; |
EINECS: | 2017-001-1 |
Density: | 1.232 g/cm3 |
Melting Point: | 83-89 °C |
Boiling Point: | 633.5 °C at 760 mmHg |
Flash Point: | 336.9 °C |
Solubility: | Slightly soluble in water. |
Appearance: | white to light yellow crystal powder |
Safety: | 24/25 |
PSA: | 101.93000 |
LogP: | 4.49110 |
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The Fmoc-D-glutamic acid gamma-tert-butyl ester, with the CAS registry number 104091-08-9, has the systematic name of (2R)-5-tert-butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid (non-preferred name). It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Fluorenes, Flurenones; Amino Acids; Glutamic acid [Glu, E]; Fmoc-Amino Acids and Derivatives; Fmoc-Amino acid series. The molecular formula of the chemical is C24H27NO6. What's more, it should be stored at 2-8°C.
The physical properties of Fmoc-D-glutamic acid gamma-tert-butyl ester are as followings: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 36.93; (6)ACD/BCF (pH 7.4): 1.49; (7)ACD/KOC (pH 5.5): 109.32; (8)ACD/KOC (pH 7.4): 4.42; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 113.45 cm3; (15)Molar Volume: 345.2 cm3; (16)Polarizability: 44.97×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.232 g/cm3; (19)Flash Point: 336.9 °C; (20)Enthalpy of Vaporization: 98.43 kJ/mol; (21)Boiling Point: 633.5 °C at 760 mmHg; (22)Vapour Pressure: 6.39E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CC[C@H](C(=O)O)NC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C24H27NO6/c1-24(2,3)31-21(26)13-12-20(22(27)28)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28)/t20-/m1/s1
(3)InChIKey: OTKXCALUHMPIGM-HXUWFJFHBP