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| CAS No.: | 133180-01-5 |
|---|---|
| Name: | Fmoc-O-trityl-L-threonine |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C38H33NO5 |
| Molecular Weight: | 583.684 |
| Synonyms: | Fmoc-Thr(Trt)-OH; |
| Density: | 1.241 g/cm3 |
| Boiling Point: | 753 °C at 760 mmHg |
| Flash Point: | 409.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38 |
| PSA: | 84.86000 |
| LogP: | 7.76640 |
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Specification
The Fmoc-Thr(Trt)-OH is an organic compound with the formula C38H33NO5. The systematic name of this chemical is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-trityl-L-threonine. With the CAS registry number 133180-01-5, it is also named as (2S,3R)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-(triphenylmethoxy)butanoic acid. The product's categories are Amino Acids; Threonine [Thr, T]; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. Besides, it should be stored in a closed place at temperature of -20 °C.
Physical properties about Fmoc-Thr(Trt)-OH are: (1)ACD/LogP: 10.67; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.14; (4)ACD/LogD (pH 7.4): 6.99; (5)ACD/BCF (pH 5.5): 224217.69; (6)ACD/BCF (pH 7.4): 16034.39; (7)ACD/KOC (pH 5.5): 45060.47; (8)ACD/KOC (pH 7.4): 3222.39; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 167.73 cm3; (15)Molar Volume: 470.2 cm3; (16)Polarizability: 66.49×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 409.2 °C; (20)Enthalpy of Vaporization: 115.15 kJ/mol; (21)Boiling Point: 753 °C at 760 mmHg; (22)Vapour Pressure: 7.95E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)[C@H](OC(c4ccccc4)(c5ccccc5)c6ccccc6)C
(2)InChI: InChI=1/C38H33NO5/c1-26(44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29)35(36(40)41)39-37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,26,34-35H,25H2,1H3,(H,39,42)(H,40,41)/t26-,35+/m1/s1
(3)InChIKey: JARBLLDDSTVWSM-IJAHGLKVBP
(4)Std. InChI: InChI=1S/C38H33NO5/c1-26(44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29)35(36(40)41)39-37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,26,34-35H,25H2,1H3,(H,39,42)(H,40,41)/t26-,35+/m1/s1
(5)Std. InChIKey: JARBLLDDSTVWSM-IJAHGLKVSA-N