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| CAS No.: | 852288-18-7 |
|---|---|
| Name: | FMOC-DOPA(ACETONIDE)-OH |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C27H25NO6 |
| Molecular Weight: | 459.499 |
| Synonyms: | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-((diphenyl(p-tolyl)methyl)amino)hexanoic acid;Fmoc-D-Lys(Mtt)-OH; |
| Density: | 1.302g/cm3 |
| Boiling Point: | 663.072 °C at 760 mmHg |
| Flash Point: | 354.814 °C |
| PSA: | 94.09000 |
| LogP: | 5.11920 |
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Specification
The Fmoc-DOPA(acetonide)-OH, with CAS registry number 852288-18-7, has the systematic name of (2S)-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. This chemical should be stored at the temperature of 0°C. And the chemical formula of this chemical is C27H25NO6.
Physical properties of Fmoc-DOPA(acetonide)-OH: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.137; (4)ACD/LogD (pH 7.4): 0.758; (5)ACD/BCF (pH 5.5): 7.261; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.655; (8)ACD/KOC (pH 7.4): 1.406; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 94.09 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 123.884 cm3; (15)Molar Volume: 353.019 cm3; (16)Polarizability: 49.111×10-24cm3; (17)Surface Tension: 57.631 dyne/cm; (18)Density: 1.302 g/cm3; (19)Flash Point: 354.814 °C; (20)Enthalpy of Vaporization: 102.473 kJ/mol; (21)Boiling Point: 663.072 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(Oc2ccc(cc2O1)C[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5)C
(2)InChI: InChI=1/C27H25NO6/c1-27(2)33-23-12-11-16(14-24(23)34-27)13-22(25(29)30)28-26(31)32-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,14,21-22H,13,15H2,1-2H3,(H,28,31)(H,29,30)/t22-/m0/s1
(3)InChIKey: SHZLOTJPHMTVDI-QFIPXVFZBU
(4)Std. InChI: InChI=1S/C27H25NO6/c1-27(2)33-23-12-11-16(14-24(23)34-27)13-22(25(29)30)28-26(31)32-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,14,21-22H,13,15H2,1-2H3,(H,28,31)(H,29,30)/t22-/m0/s1
(5)Std. InChIKey: SHZLOTJPHMTVDI-QFIPXVFZSA-N