BENZYL N-ACETYL-4,6-O-BENZYLIDENEMURAMIC ACID

The Muramic acid,N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)- (9CI), with the CAS registry number 74842-55-0, is also known as 1-Benzyl-N-acetyl-4,6-o-benzylidenemuramic acid. It belongs to the product categories of Carbohydrates & Derivatives; Carbohydrates; Carbohydrates A to; Carbohydrates A-CBiochemicals and Reagents; Monosaccharide. This chemical's molecular formula is C₂₅H₂₉NO₈ and molecular weight is 471.4997. Its systematic name is called benzyl 2-(acetylamino)-3-O-(1-carboxyethyl)-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranoside. This chemical is white crystalline solid.

Physical properties of Muramic acid,N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)- (9CI): (1)ACD/LogP: 4.32; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 7.29; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.34; (7)ACD/KOC (pH 7.4): 1.38; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 121.54 cm³; (13)Molar Volume: 357.4 cm³; (14)Surface Tension: 57 dyne/cm; (15)Density: 1.31 g/cm³; (16)Flash Point: 387.8 °C; (17)Enthalpy of Vaporization: 110.1 kJ/mol; (18)Boiling Point: 717.7 °C at 760 mmHg; (19)Vapour Pressure: 1.29E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O[C@@H]3[C@@H](NC(=O)C)[C@H](O[C@H]1[C@H]3OC(OC1)c2ccccc2)OCc4ccccc4)C
(2)InChI: InChI=1/C25H29NO8/c1-15(23(28)29)32-22-20(26-16(2)27)25(30-13-17-9-5-3-6-10-17)33-19-14-31-24(34-21(19)22)18-11-7-4-8-12-18/h3-12,15,19-22,24-25H,13-14H2,1-2H3,(H,26,27)(H,28,29)/t15?,19-,20-,21-,22-,24?,25+/m1/s1
(3)InChIKey: JPPMVSNCFXDOJX-YPBCPQMNBW