1,3,4,6-Tetra-O-Acetyl-2-{[N-Acetyl-3-(Nitrososulfanyl)Valyl]Amino}-2-Deoxyhexopyranose
[CAS# 202656-49-3]

Identification

• Name: 1,3,4,6-Tetra-O-Acetyl-2-{[N-Acetyl-3-(Nitrososulfanyl)Valyl]Amino}-2-Deoxyhexopyranose
• Synonyms: N-(S-NITROSO-N-ACETYL-D,L-PENICILLAMINE)-2-AMINO-2-DEOXY-1,3,4,6-TETRA-O-ACETYL-Î’-D-GLUCOPYRANOSE
• Molecular Formula: C₂₁H₃₁N₃O₁₂S
• Molecular Weight: 549.55
• CAS Registry Number: 202656-49-3
• SMILES: O=C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1NC(=O)C(NC(=O)C)C(SN=O)(C)C)COC(=O)C)C
• InChI: 1S/C21H31N3O12S/c1-9(25)22-18(21(6,7)37-24-31)19(30)23-15-17(34-12(4)28)16(33-11(3)27)14(8-32-10(2)26)36-20(15)35-13(5)29/h14-18,20H,8H2,1-7H3,(H,22,25)(H,23,30)
• InChIKey: VISYVRBZWPNIOD-UHFFFAOYSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Refractive index: 1.571 (Cal.)