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CAS No.: | 112380-10-6 |
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Name: | FMOC-HIS(TOS)-OH |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C28H25N3O6S |
Molecular Weight: | 531.589 |
Synonyms: | N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-N-TAU-TOSYL-L-HISTIDINE;N-ALPHA-FMOC-N(IM)-TOSYL-L-HISTIDINE;FMOC-N-IM-4-TOLUENESYLFONYL-L-HISTIDINE;FMOC-HIS(TOS)-OH;FMOC-HIS(TOS)-OH 98+%;nα-fmoc-n(im)-tosyl-l-histidine;(S)-2-((((9H-Fluoren-9-yl)Methoxy)carbonyl)aMino)-3-(1-tosyl-1H-iMidazol-4-yl)propanoic acid;N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1-[(4-methylphenyl)sulfonyl]-L-histidine |
Density: | 1.4 g/cm3 |
Melting Point: | 170-174 °C (dec.) |
PSA: | 135.97000 |
LogP: | 5.43460 |
The L-Histidine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-[(4-methylphenyl)sulfonyl]- is an organic compound with the formula C28H25N3O6S. The systematic name of this chemical is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-[(4-methylphenyl)sulfonyl]-L-histidine. With the CAS registry number 112380-10-6, it is also named as Nα-Fmoc-N(im)-tosyl-L-histidine.
Physical properties about L-Histidine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-[(4-methylphenyl)sulfonyl]- are: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 7.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.1; (8)ACD/KOC (pH 7.4): 1.68; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 116.18 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 142.42 cm3; (15)Molar Volume: 378 cm3; (16)Polarizability: 56.46×10-24cm3; (17)Surface Tension: 58.3 dyne/cm; (18)Density: 1.4 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(n1cc(nc1)C[C@@H](C(=O)O)NC(=O)OCC4c2ccccc2c3ccccc34)c5ccc(cc5)C
(2)InChI: InChI=1/C28H25N3O6S/c1-18-10-12-20(13-11-18)38(35,36)31-15-19(29-17-31)14-26(27(32)33)30-28(34)37-16-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-13,15,17,25-26H,14,16H2,1H3,(H,30,34)(H,32,33)/t26-/m0/s1
(3)InChIKey: PHAKSHNECOECCD-SANMLTNEBZ
(4)Std. InChI: InChI=1S/C28H25N3O6S/c1-18-10-12-20(13-11-18)38(35,36)31-15-19(29-17-31)14-26(27(32)33)30-28(34)37-16-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-13,15,17,25-26H,14,16H2,1H3,(H,30,34)(H,32,33)/t26-/m0/s1
(5)Std. InChIKey: PHAKSHNECOECCD-SANMLTNESA-N