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| CAS No.: | 86061-00-9 |
|---|---|
| Name: | FMOC-GLN-OPFP |
| Molecular Structure: | |
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| Formula: | C26H19F5N2O5 |
| Molecular Weight: | 534.439 |
| Synonyms: | FMOC-L-Glutaminepentafluorophenyl ester;N-(9-Fluorenylmethoxycarbonyl)-L-glutaminepentafluorophenyl ester;Fmoc-Gln-OPfp; |
| Density: | 1.45 g/cm3 |
| Melting Point: | 153-154℃ (ethanol hexane ) |
| Boiling Point: | 717.926 °C at 760 mmHg |
| Flash Point: | 387.988 °C |
| PSA: | 107.72000 |
| LogP: | 5.55150 |
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Specification
The L-Glutamine,N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI), with the CAS registry number 86061-00-9, is also known as Pentafluorophenyl N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutaminate. It belongs to the product categories of Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. This chemical's molecular formula is C26H19F5N2O5 and molecular weight is 534.43. What's more, it systematic name is called (2,3,4,5,6-Pentafluorophenyl) (2S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-pentanoate.
Physical properties about L-Glutamine,N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI) are: (1) ACD/LogP: 4.30; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 4.303; (4) ACD/LogD (pH 7.4): 4.302; (5) ACD/BCF (pH 5.5): 1096.54; (6) ACD/BCF (pH 7.4): 1094.375; (7) ACD/KOC (pH 5.5): 5219.704; (8) ACD/KOC (pH 7.4): 5209.398; (9) #H bond acceptors: 7; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 10; (12) Polar Surface Area: 107.72 Å2; (13) Index of Refraction: 1.573; (14) Molar Refractivity: 121.428 cm3; (15) Molar Volume: 368.472 cm3; (16) Surface Tension: 51.413 dyne/cm; (17) Density: 1.45 g/cm3; (18) Flash Point: 387.988 °C; (19) Enthalpy of Vaporization: 104.907 kJ/mol; (20) Boiling Point: 717.926 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCC(=O)N)C(=O)Oc4c(c(c(c(c4F)F)F)F)F
(2) InChI: InChI=1/C26H19F5N2O5/c27-19-20(28)22(30)24(23(31)21(19)29)38-25(35)17(9-10-18(32)34)33-26(36)37-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H2,32,34)(H,33,36)/t17-/m0/s1
(3) InChIKey: FVJZFMYVWWIIGD-KRWDZBQOBN