CAS No.25456-76-2,D-Glutamic acid 1-tert-butyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25456-76-2
Name:	D-Glutamic acid 1-tert-butyl ester
Article Data:	2

Formula:	C₉H₁₇NO₄
Molecular Weight:	203.238
Synonyms:	Glutamicacid, 1-tert-butyl ester, D- (8CI);H-D-Glu-OtBu;
Density:	1.133 g/cm³
Boiling Point:	326.8 °C at 760 mmHg
Flash Point:	151.5 °C
Solubility:	Slightly soluble in water.
PSA:	89.62000
LogP:	1.22050

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Specification

The CAS register number of D-Glutamic acid,1-(1,1-dimethylethyl) ester is 25456-76-2. It also can be called as H-D-Glu-OtBu and the systematic name about this chemical is (4R)-4-ammonio-5-tert-butoxy-5-oxopentanoate. The molecular formula about this chemical is C₉H₁₇NO₄and the molecular weight is 203.24. It belongs to the following product categories, such as Amino Acids and Derivatives; Amino Acid Derivatives and so on.

Physical properties about D-Glutamic acid,1-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): -1.68; (3)ACD/LogD (pH 7.4): -1.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 63.6Å²; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 50.54 cm³; (14)Molar Volume: 179.3 cm³; (15)Polarizability: 20.03x10^-24cm³; (16)Surface Tension: 42.6 dyne/cm; (17)Enthalpy of Vaporization: 62.56 kJ/mol; (18)Boiling Point: 326.8 °C at 760 mmHg; (19)Vapour Pressure: 4.2E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)[C@@H](CCC([O-])=O)[NH3+]
(2)InChI: InChI=1/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-/m1/s1
(3)InChIKey: QVAQMUAKTNUNLN-ZCFIWIBFBO
(4)Std. InChI: InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-/m1/s1
(5)Std. InChIKey: QVAQMUAKTNUNLN-ZCFIWIBFSA-N