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Boc-D-Glutamine

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Name

Boc-D-Glutamine

EINECS 237-296-8
CAS No. 61348-28-5 Density 1.22 g/cm3
PSA 118.72000 LogP 1.32100
Solubility N/A Melting Point 117-119°C
Formula C10H18N2O5 Boiling Point 509.1 °C at 760 mmHg
Molecular Weight 246.263 Flash Point 261.7 °C
Transport Information N/A Appearance white - off-white powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 61348-28-5 (Boc-D-Glutamine) Hazard Symbols N/A
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;

Article Data 2

Boc-D-Glutamine 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

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