Name: Boc-L-glutamic acid γ-allyl ester
SKU: 132286-79-4

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Basic Information

Molecular Structure:
CAS No.:	132286-79-4
Name:	Boc-L-glutamic acid γ-allyl ester
Article Data:	3

Formula:	C₁₃H₂₁NO₆
Molecular Weight:	287.313
Synonyms:	L-Glutamicacid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(2-propenyl) ester (9CI);(2S)-5-allyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid;L-glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(2-propen-1-yl) ester;BOC-GLU(OAL)-OH;
Density:	1.154 g/cm³
Boiling Point:	448.294 °C at 760 mmHg
Flash Point:	224.92 °C
PSA:	101.93000
LogP:	1.86460

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Specification

The Boc-L-glutamic acid γ-allyl ester, with the CAS registry number 132286-79-4, has the systematic name of (2S)-5-allyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid. It should be stored at 0°C. And molecular formula of the chemical is C₁₃H₂₁NO₆.

The characteristics of Boc-L-glutamic acid γ-allyl ester are as followings: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): ; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 101.93 Å²; (9)Index of Refraction: 1.479; (10)Molar Refractivity: 70.63 cm³; (11)Molar Volume: 249 cm³; (12)Polarizability: 28×10^-24cm³; (13)Surface Tension: 40.9 dyne/cm; (14)Density: 1.153 g/cm³; (15)Flash Point: 224.9 °C; (16)Enthalpy of Vaporization: 77.47 kJ/mol; (17)Boiling Point: 448.3 °C at 760 mmHg; (18)Vapour Pressure: 2.75E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC=C)C(O)=O
(2)InChI: InChI=1/C13H21NO6/c1-5-8-19-10(15)7-6-9(11(16)17)14-12(18)20-13(2,3)4/h5,9H,1,6-8H2,2-4H3,(H,14,18)(H,16,17)/t9-/m0/s1
(3)InChIKey: VNZYUMCXQWYCAW-VIFPVBQEBH