CAS No.4079-64-5,D-ASPARTIC ACID(OBZL)-OBZL P-TOSYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4079-64-5
Name:	D-ASPARTIC ACID(OBZL)-OBZL P-TOSYLATE
Article Data:	2

Formula:	C₂₅H₂₇NO₇S
Molecular Weight:	485.558
Synonyms:	Dibenzyl D-aspartate 4-methylbenzenesulfonate (1:1);(R)-2-Amino-succinic acid dibenzyl ester, p-tosylate;D-Aspartic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1);D-Aspartic acid dibenzyl ester tosylate;
Melting Point:	155-158℃
Boiling Point:	455.3 °C at 760 mmHg
Flash Point:	180.5 °C
PSA:	141.37000
LogP:	5.21340

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Specification

The CAS register number of D-Aspartic acid dibenzyl ester tosylate is 4079-64-5. It also can be called as D-Aspartic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1) and the systematic name about this chemical is (2R)-1,4-bis(benzyloxy)-1,4-dioxobutan-2-aminium 4-methylbenzenesulfonate. The molecular formula about this chemical is C₂₅H₂₇NO₇S and the molecular weight is 485.55.

Physical properties about D-Aspartic acid dibenzyl ester tosylate are: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 78.33; (5)ACD/BCF (pH 7.4): 218.12; (6)ACD/KOC (pH 5.5): 586.21; (7)ACD/KOC (pH 7.4): 1632.28; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 52.6Å²; (12)Flash Point: 180.5 °C; (13)Enthalpy of Vaporization: 71.5 kJ/mol; (14)Boiling Point: 455.3 °C at 760 mmHg; (15)Vapour Pressure: 1.78E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)c1ccc(cc1)C.O=C(OCc1ccccc1)C[C@H](C(=O)OCc2ccccc2)[NH3+]
(2)InChI: InChI=1/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)/t16-;/m1./s1
(3)InChIKey: HLMUYZYLPUHSNV-PKLMIRHRBD
(4)Std. InChI: InChI=1S/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)/t16-;/m1./s1
(5)Std. InChIKey: HLMUYZYLPUHSNV-PKLMIRHRSA-N