Benzyl 2-Acetamido-4,6-O-Benzylidene-3-O-[(1R)-1-Carboxyethyl]-2-Deoxy-alpha-D-Glucopyranoside
[CAS# 499104-69-7]

Identification

• Name: Benzyl 2-Acetamido-4,6-O-Benzylidene-3-O-[(1R)-1-Carboxyethyl]-2-Deoxy-alpha-D-Glucopyranoside
• Synonyms: (2R)-{[(4aR,6S,7R,8R,8aS)-7-(Acetylamino)-6-(benzyloxy)-2-phenylperhydropyrano[3,2-d][1,3]dioxin-8-yl]oxy}propanoic acid; (2R)-{[(4aR,6S,7R,8R,8aS)-7-(Acetylamino)-6-(benzyloxy)-2-phenylperhydropyrano[3,2-d][1,3]dioxin-8-yl]oxy}propanoic acid, N-Acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene-α-muramic acid; (2R)-{[(4aR,6S,7R,8R,8aS)-7-(Acetylamino)-6-(benzyloxy)-2-phenylperhydropyrano[3,2-d][1,3]dioxin-8-yl]oxy}propanoic acid; N-Acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene-α-muramic acid
• Molecular Formula: C₂₅H₂₉NO₈
• Molecular Weight: 471.50
• CAS Registry Number: 499104-69-7
• SMILES: O=C(O)[C@H](O[C@@H]3[C@@H](NC(=O)C)[C@H](O[C@H]1[C@H]3OC(OC1)c2ccccc2)OCc4ccccc4)C
• InChI: 1S/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
• InChIKey: JPPMVSNCFXDOJX-BKIFYLKZSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Melting point: 220-222°C (Expl.)
• Boiling point: 717.669°C at 760 mmHg (Cal.)
• Flash point: 387.832°C (Cal.)
• Refractive index: 1.595 (Cal.)

Safety Data

• Safety Description: Irritant