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| CAS No.: | 61348-28-5 |
|---|---|
| Name: | Boc-D-Glutamine |
| Molecular Structure: | |
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| Formula: | C10H18N2O5 |
| Molecular Weight: | 246.263 |
| Synonyms: | (2R)-4-carbamoyl-2-(tert-butoxycarbonylamino)butanoate;Boc-D-Gln-OH;N2-(tert-butoxycarbonyl)-L-glutamine;L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]-;N2-(tert-Butoxycarbonyl)-L-glutamin;Nα-tert-Butoxycarbonyl-L-glutamine;(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-carbamoylbutanoic acid;(S)-5-Amino-2-(tert-butoxycarbonylamino)-5-oxopentanoic acid; |
| EINECS: | 237-296-8 |
| Density: | 1.22 g/cm3 |
| Melting Point: | 117-119°C |
| Boiling Point: | 509.1 °C at 760 mmHg |
| Flash Point: | 261.7 °C |
| Appearance: | white - off-white powder |
| Safety: | 24/25 |
| PSA: | 118.72000 |
| LogP: | 1.32100 |
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Specification
The Boc-D-Glutamine, with the CAS registry number 61348-28-5 and EINECS registry number 230-006-0, has the systematic name of N2-(tert-butoxycarbonyl)-L-glutamine. It belongs to the following product categories: Amino Acids; Boc-Amino Acids and Derivative. And the molecular formula of the chemical is C10H18N2O5. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Boc-D-Glutamine are as followings: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -3.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 58.8 cm3; (15)Molar Volume: 201.7 cm3; (16)Polarizability: 23.31×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 261.7 °C; (20)Enthalpy of Vaporization: 85.33 kJ/mol; (21)Boiling Point: 509.1 °C at 760 mmHg; (22)Vapour Pressure: 9.65E-12 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC(=O)N
(2)InChI: InChI=1/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1
(3)InChIKey: VVNYDCGZZSTUBC-LURJTMIEBM