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CAS No.: | 3392-11-8 |
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Name: | BOC-TRP-OSU |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C20H23N3O6 |
Molecular Weight: | 401.419 |
Synonyms: | Carbamicacid, [(1S)-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-,1,1-dimethylethyl ester (9CI);Carbamic acid,[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-,1,1-dimethylethyl ester, (S)-;Succinimide, N-[(N-carboxy-L-tryptophyl)oxy]-,tert-butyl ester (7CI,8CI);NSC 164059; |
EINECS: | 222-234-4 |
Density: | 1.35 g/cm3 |
Melting Point: | 146-148 °C |
PSA: | 117.80000 |
LogP: | 2.53970 |
This chemical is called Boc-L-tryptophan N-hydroxysuccinimide ester, and its systematic name is 2,5-dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)-L-tryptophanate. With the molecular formula of C20H23N3O6 , its molecular weight is 401.41. The CAS registry number of this chemical is 3392-11-8. In addition, this chemical should be stored at the temperature of −20 °C.
Other characteristics of the Boc-L-tryptophan N-hydroxysuccinimide ester can be summarised as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.25; (6)ACD/BCF (pH 7.4): 7.25; (7)ACD/KOC (pH 5.5): 143.68; (8)ACD/KOC (pH 7.4): 143.63; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 98.15 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 103.22 cm3; (15)Molar Volume: 295.7 cm3; (16)Polarizability: 40.92×10-24cm3; (17)Surface Tension: 62.4 dyne/cm; (18)Density: 1.35 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C3N(OC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2c1ccccc1nc2)C(=O)CC3
2.InChI: InChI=1/C20H23N3O6/c1-20(2,3)28-19(27)22-15(18(26)29-23-16(24)8-9-17(23)25)10-12-11-21-14-7-5-4-6-13(12)14/h4-7,11,15,21H,8-10H2,1-3H3,(H,22,27)/t15-/m0/s1
3.InChIKey: CPJXMXQYRHNIFU-HNNXBMFYBG