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CAS No.: | 105751-13-1 |
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Name: | FMOC-SER(TBU)-OPFP |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C28H24F5NO5 |
Molecular Weight: | 549.494 |
Synonyms: | L-Serine,O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenylester (9CI);N-9-Fluorenylmethoxycarbonyl-O-tert-butylserine pentafluorophenylester;Fmoc-Ser(tBu)-OPfp; |
Density: | 1.35 g/cm3 |
Melting Point: | 67-71℃ |
Boiling Point: | 628.165 °C at 760 mmHg |
Flash Point: | 333.702 °C |
PSA: | 73.86000 |
LogP: | 6.40080 |
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The IUPAC name of Fmoc-Ser(tBu)-OPfp is (2,3,4,5,6-pentafluorophenyl)(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate. With the CAS registry number 105751-13-1, it is also named as N-9-Fluorenylmethoxycarbonyl-O-tert-butylserine pentafluorophenyl ester. The product's categories are Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. In addition, its molecular formula is C28H24F5NO5 and its molecular weight is 549.49. This chemical should be stored at 2-8 °C.
The other characteristics of Fmoc-Ser(tBu)-OPfp can be summarized as: (1)ACD/LogP: 7.83; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.83; (4)ACD/LogD (pH 7.4): 7.83; (5)ACD/BCF (pH 5.5): 523127.34; (6)ACD/BCF (pH 7.4): 521185.56; (7)ACD/KOC (pH 5.5): 431463.88; (8)ACD/KOC (pH 7.4): 429862.34; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 128.83 cm3; (15)Molar Volume: 407 cm3; (16)Polarizability: 51.07×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 333.7 °C; (20)Enthalpy of Vaporization: 92.95 kJ/mol; (21)Boiling Point: 628.2 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-15 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc4c(F)c(F)c(F)c(F)c4OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)COC(C)(C)C
(2)InChI: InChI=1/C28H24F5NO5/c1-28(2,3)38-13-19(26(35)39-25-23(32)21(30)20(29)22(31)24(25)33)34-27(36)37-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,34,36)/t19-/m0/s1
(3)InChIKey: DOUJYVMLNKRFHE-IBGZPJMEBW
(4)Std. InChI: InChI=1S/C28H24F5NO5/c1-28(2,3)38-13-19(26(35)39-25-23(32)21(30)20(29)22(31)24(25)33)34-27(36)37-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,34,36)/t19-/m0/s1
(5)Std. InChIKey: DOUJYVMLNKRFHE-IBGZPJMESA-N