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201274-07-9

Basic Information
CAS No.: 201274-07-9
Name: L-Threonine benzyl ester oxalate
Molecular Structure:
Molecular Structure of 201274-07-9 (L-Threonine benzyl ester oxalate)
Formula: C11H15NO3.C2H2O4
Molecular Weight: 299.28
Synonyms: H-Thr-Obzl Oxalate (1:1);H-Thr-OBzl·oxalate;
EINECS:
Density:
Melting Point:
Boiling Point: 566.3 °C at 760 mmHg
Flash Point: 296.3 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 147.15000
LogP: 0.29380
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    L-Threonine benzyl ester oxalate

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Specification

The cas register number of L-Threonine benzyl ester oxalate is 201274-07-9. It also can be called as H-Thr-OBzl oxalate (1:1) and the Systematic name about this chemical is [(1S,2R)-1-benzyloxycarbonyl-2-hydroxy-propyl]ammonium; 2-hydroxy-2-oxo-acetate. It belongs to the Protected Amino Acids.

Physical properties about L-Threonine benzyl ester oxalate are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 8; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 101.96Å2; (6)Flash Point: 296.3 °C; (7)Enthalpy of Vaporization: 89.47 kJ/mol; (8)Boiling Point: 566.3 °C at 760 mmHg; (9)Vapour Pressure: 1.16E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C(=O)O.O=C(OCc1ccccc1)[C@@H]([NH3+])[C@H](O)C
(2)InChI: InChI=1/C11H15NO3.C2H2O4/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;3-1(4)2(5)6/h2-6,8,10,13H,7,12H2,1H3;(H,3,4)(H,5,6)/t8-,10+;/m1./s1
(3)InChIKey: SXBVEEGVIGATLZ-SCYNACPDBQ
(4)Std. InChI: InChI=1S/C11H15NO3.C2H2O4/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9;3-1(4)2(5)6/h2-6,8,10,13H,7,12H2,1H3;(H,3,4)(H,5,6)/t8-,10+;/m1./s1
(5)Std. InChIKey: SXBVEEGVIGATLZ-SCYNACPDSA-N