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O,O-Di-tert-butyl-L-threonine acetate (5854-77-3)

Identification
Name:O,O-Di-tert-butyl-L-threonine acetate
Synonyms:O-t-Butyl-L-Threonine-t-Butyl Ester Acetate;
CAS:5854-77-3
EINECS: 227-464-9
Molecular Formula: C12H25NO3.C2H4O2
Molecular Weight: 0
InChI: InChI=1/C12H25NO3.C2H4O2/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7;1-2(3)4/h8-9H,13H2,1-7H3;1H3,(H,3,4)/t8-,9+;/m1./s1
Molecular Structure: (C12H25NO3.C2H4O2) O-t-Butyl-L-Threonine-t-Butyl Ester Acetate;
Properties
Melting Point: 59-61 °C
Specification:

The O-tert-Butyl-L-threonine tert-butyl ester acetate salt with its cas register number is 5854-77-3. It also can be called as O,O'-Di-tert-butyl-L-threonine acetate and the Systematic name about this chemical is tert-butyl O-tert-butyl-L-threoninate acetate. It belongs to the following product categories, such as Amino Acid Derivatives, Peptide Synthesis, Threonine and so on.

Physical properties about O-tert-Butyl-L-threonine tert-butyl ester acetate salt are: (1)ACD/LogP: 2.36; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 65.07Å2; (6)Enthalpy of Vaporization: 72.2 kJ/mol; (7)Vapour Pressure: 9.73E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C.O=C(OC(C)(C)C)[C@@H](N)[C@H](OC(C)(C)C)C
(2)InChI: InChI=1/C12H25NO3.C2H4O2/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7;1-2(3)4/h8-9H,13H2,1-7H3;1H3,(H,3,4)/t8-,9+;/m1./s1
(3)InChIKey: BGAUVMFJRASONL-RJUBDTSPBR
(4)Std. InChI: InChI=1S/C12H25NO3.C2H4O2/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7;1-2(3)4/h8-9H,13H2,1-7H3;1H3,(H,3,4)/t8-,9+;/m1./s1
(5)Std. InChIKey: BGAUVMFJRASONL-RJUBDTSPSA-N

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