H-D-Glu(OtBu)-OH supplier | CasNO.45125-00-6

Name
H-D-GLU(OTBU)-OH
EINECS
CAS No. 45125-00-6
Density 1.133 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₉H₁₇NO₄
Boiling Point 336.4 °C at 760 mmHg
Molecular Weight 203.238
Flash Point 157.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2R)-2-Amino-5-tert-butoxy-5-oxopentanoic acid (non-preferred name);(2R)-2-amino-5-(tert-butoxy)-5-oxopentanoic acid;
PSA 89.62000
LogP 1.22050

H-D-Glu(OtBu)-OH Specification

The CAS register number of D-Glutamicacid, 5-(1,1-dimethylethyl) ester is 45125-00-6. It also can be called as H-D-Glu(OtBu)-OH and the systematic name about this chemical is (2R)-2-ammonio-5-tert-butoxy-5-oxopentanoate. The molecular formula about this chemical is C₉H₁₇NO₄ and the molecular weight is 203.2356. It belongs to the following product categories, such as Amino Acids Derivatives; Glutamic acid [Glu, E]; Amino Acids and Derivatives; Amino Acid Derivatives and so on.

Physical properties about D-Glutamicacid, 5-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 1.04; (2)ACD/LogD (pH 5.5): -1.46; (3)ACD/LogD (pH 7.4): -1.47; (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: 63.7 kJ/mol; (18)Boiling Point: 336.4 °C at 760 mmHg; (19)Vapour Pressure: 2.11E-05 mmHg at 25°C.

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

Product Name

H-D-GLU(OTBU)-OH

H-D-Glu(OtBu)-OH Specification

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