(S)-3-(Benzyloxycarbonyl)-4-isopropyl-2,5-oxazolidinedione supplier

Name
Z-L-Valine NCA
EINECS
CAS No. 158257-41-1
Article Data2
CAS DataBase
Density 1.294 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₅NO₅
Boiling Point 367.988 °C at 760 mmHg
Molecular Weight 277.277
Flash Point 176.353 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Oxazolidinecarboxylicacid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (S)-;(S)-3-(Benzyloxycarbonyl)-4-isopropyl-2,5-oxazolidinedione;
PSA 72.91000
LogP 2.26450

(S)-3-(Benzyloxycarbonyl)-4-isopropyl-2,5-oxazolidinedione Specification

The 3-Oxazolidinecarboxylicacid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)- is an organic compound with the formula C₁₄H₁₅NO₅. The systematic name of this chemical is Benzyl (4S)-2,5-dioxo-4-(propan-2-yl)-1,3-oxazolidine-3-carboxylate. With the CAS registry number 158257-41-1, it is also named as (S)-4-(1-Methylethyl)-2,5-dioxo-3-oxazolidinecarboxylic Acid Phenylmethyl Ester. The product's categories are Aminoacids Derivatives; Amino Acids 13C, 2H, 15N; Amino Acids and Derivatives; Chiral Reagents; Heterocycles. Besides, it is white solid.

Physical properties about 3-Oxazolidinecarboxylicacid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)- are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 23; (5)ACD/BCF (pH 7.4): 23; (6)ACD/KOC (pH 5.5): 327; (7)ACD/KOC (pH 7.4): 327; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 72.91 Å²; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 68.57 cm³; (13)Molar Volume: 214.241 cm³; (14)Polarizability: 27.183×10^-24 cm³; (15)Surface Tension: 51.21 dyne/cm; (16)Density: 1.294 g/cm³; (17)Flash Point: 176.353 °C; (18)Enthalpy of Vaporization: 61.459 kJ/mol; (19)Boiling Point: 367.988 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H15NO5/c1-9(2)11-12(16)20-14(18)15(11)13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1
(2)InChIKey: PBXWOGVKYLPBQY-NSHDSACABK
(3)Std. InChI: InChI=1S/C14H15NO5/c1-9(2)11-12(16)20-14(18)15(11)13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1
(4)Std. InChIKey: PBXWOGVKYLPBQY-NSHDSACASA-N

Product Name

Z-L-Valine NCA

(S)-3-(Benzyloxycarbonyl)-4-isopropyl-2,5-oxazolidinedione Specification

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