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| CAS No.: | 201274-07-9 |
|---|---|
| Name: | H-THR-OBZL OXALATE (1:1) |
| Molecular Structure: | |
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| Formula: | C11H15NO3.C2H2O4 |
| Molecular Weight: | 299.28 |
| Synonyms: | H-Thr-Obzl Oxalate (1:1);H-Thr-OBzl·oxalate; |
| Boiling Point: | 566.3 °C at 760 mmHg |
| Flash Point: | 296.3 °C |
| PSA: | 147.15000 |
| LogP: | 0.29380 |
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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