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| CAS No.: | 4666-16-4 |
|---|---|
| Name: | Z-GLU(OTBU)-OSU |
| Molecular Structure: | |
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| Formula: | C21H26N2O8 |
| Molecular Weight: | 434.446 |
| Synonyms: | 5-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) N-[(benzyloxy)carbonyl]-L-glutamate;5-O-tert-Butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate; |
| EINECS: | 225-111-3 |
| Density: | 1.29 g/cm3 |
| Melting Point: | 105-107 °C |
| Safety: | 22-24/25 |
| PSA: | 128.31000 |
| LogP: | 2.33930 |
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Specification
The L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-(2,5-dioxo-1-pyrrolidinyl) ester, with the CAS registry number 4666-16-4, is also known as 5-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) N-[(benzyloxy)carbonyl]-L-glutamate. It belongs to the product categoriy of Amino Acid Derivatives. Its EINECS registry number is 225-111-3. The molecular formula of this chemical is C21H26N2O8 and molecular weight is 434.4397. What's more, its IUPAC name is 5-O-tert-Butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate. When you are dealing with this chemical, you should be very careful. Do not breathe dust and avoid contacting with skin and eyes.
Physical properties about L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-(2,5-dioxo-1-pyrrolidinyl) ester are: (1)ACD/LogP: 1.91; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.59; (6)ACD/BCF (pH 7.4): 16.57; (7)ACD/KOC (pH 5.5): 259.9; (8)ACD/KOC (pH 7.4): 259.62; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 119.52 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 107.49 cm3; (15)Molar Volume: 334.2 cm3; (16)Polarizability: 42.61×10-24 cm3; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.29 g/cm3; (19)Melting Point: 105-107 °C; (20)Storage temperature: −20 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(OC(=O)[C@@H](NC(=O)OCc1ccccc1)CCC(=O)OC(C)(C)C)C(=O)CC2
(2) InChI: InChI=1/C21H26N2O8/c1-21(2,3)30-18(26)12-9-15(19(27)31-23-16(24)10-11-17(23)25)22-20(28)29-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,22,28)/t15-/m0/s1
(3) InChIKey: FWRRURPRGINXSY-HNNXBMFYBI