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746558-88-3

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Basic Information
CAS No.: 746558-88-3
Name: Dimethyl (S)-3-hydroxy-L-aspartate
Molecular Structure:
Molecular Structure of 746558-88-3 (Dimethyl (S)-3-hydroxy-L-aspartate)
Formula: C6H11NO5
Molecular Weight: 177.1552
Synonyms: Dimethyl (2R,3R)-2-amino-3-hydroxy-butanedioate;
Density: 1.298 g/cm3
Boiling Point: 298.962 °C at 760 mmHg
Flash Point: 134.608 °C
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    Dimethyl (S)-3-hydroxy-L-aspartate

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  • Dimethyl (S)-3-hydroxy-L-aspartate

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    Dimethyl (S)-3-hydroxy-L-aspartate

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  • Dimethyl (S)-3-hydroxy-L-aspartate

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  • Dimethyl (S)-3-hydroxy-L-aspartate

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    Dimethyl (S)-3-hydroxy-L-aspartate

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  • Dimethyl (S)-3-hydroxy-L-aspartate

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    746558-88-3

    Dimethyl (S)-3-hydroxy-L-aspartate

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Specification

The CAS registry number of Dimethyl (S)-3-hydroxy-L-aspartate is 746558-88-3. Its molecular formula is C6H11NO5 and molecular weight is 177.1552. Its systematic name is called dimethyl (2R,3R)-2-amino-3-hydroxy-butanedioate.

Physical properties about Dimethyl (S)-3-hydroxy-L-aspartate are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.03; (5)ACD/KOC (pH 7.4): 6.677; (6)#H bond acceptors: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 7; (9)Index of Refraction: 1.474; (10)Molar Refractivity: 38.383 cm3; (11)Molar Volume: 136.477 cm3; (12)Surface Tension: 48.877 dyne/cm; (13)Density: 1.298 g/cm3; (14)Flash Point: 134.608 °C; (15)Enthalpy of Vaporization: 62.515 kJ/mol; (16)Boiling Point: 298.962 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)[C@@H]([C@H](C(=O)OC)O)N
(2)InChI: InChI=1/C6H11NO5/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,8H,7H2,1-2H3/t3-,4-/m1/s1
(3)InChIKey: FKPFNKFGJIMFFG-QWWZWVQMBW