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| CAS No.: | 81379-52-4 |
|---|---|
| Name: | FMOC-HIS(BOC)-OH |
| Molecular Structure: | |
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| Formula: | C26H27N3O6 |
| Molecular Weight: | 477.517 |
| Synonyms: | Fmoc-His(Boc)-OH;Fmoc-His(Boc)-OH.CHA;Fmoc-His(Boc)-OH·CHA; |
| Density: | 1.32 g/cm3 |
| Appearance: | White powder |
| Safety: | 22-24/25 |
| PSA: | 119.75000 |
| LogP: | 4.59160 |
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Specification
The L-Histidine,1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, with the CAS registry number 81379-52-4, is also known as 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-histidine. It belongs to the product categories of Amino Acids; Histidine [His, H]; Fmoc-Amino Acid Series. This chemical's molecular formula is C26H27N3O6 and molecular weight is 477.51. What's more, its IUPAC name is (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl) oxycarbonyl]imidazol-4-yl]propanoic acid and systematic name is called 1-(tert-Butoxycarbonyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-histidine. It is white powder.
Physical properties about L-Histidine,1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- are: (1).ACD/LogP: 4.65; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 1; (5) ACD/BCF (pH 5.5): 7; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 30; (8) ACD/KOC (pH 7.4): 2; (9) #H bond acceptors: 9; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 9; (12) Polar Surface Area: 119.75 Å2; (13) Index of Refraction: 1.628; (14) Molar Refractivity: 128.405 cm3; (15) Molar Volume: 361.672 cm3; (16) Surface Tension: 50.896 dyne/cm; (17) Density: 1.32 g/cm3.
When you are dealing with this chemical, you should be very careful. You can not breathe the gas of this chemical. In addition, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4ncn(C(=O)OC(C)(C)C)c4
(2) InChI: InChI=1/C26H27N3O6/c1-26(2,3)35-25(33)29-13-16(27-15-29)12-22(23(30)31)28-24(32)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,13,15,21-22H,12,14H2,1-3H3,(H,28,32)(H,30,31)/t22-/m0/s1
(3) InChIKey: ZRHPMMZWDWMKPD-QFIPXVFZBG