N-Acetyl-S-[[5,8-Dihydro-1-Hydroxy-7-(Hydroxymethyl)-3,6-Dimethoxy-5,8-Dioxonaphthalen-2-Yl]Methyl]-L-Cysteine
[CAS# 91776-45-3]

Identification

• Name: N-Acetyl-S-[[5,8-Dihydro-1-Hydroxy-7-(Hydroxymethyl)-3,6-Dimethoxy-5,8-Dioxonaphthalen-2-Yl]Methyl]-L-Cysteine
• Synonyms: (2R)-2-Acetamido-3-[[1-Hydroxy-7-(Hydroxymethyl)-3,6-Dimethoxy-5,8-Dioxo-2-Naphthyl]Methylsulfanyl]Propanoic Acid; (2R)-2-Acetamido-3-[[1-Hydroxy-7-(Hydroxymethyl)-3,6-Dimethoxy-5,8-Dioxo-2-Naphthyl]Methylthio]Propanoic Acid; (2R)-2-Acetamido-3-[(1-Hydroxy-
• Molecular Formula: C₁₉H₂₁NO₉S
• Molecular Weight: 439.44
• CAS Registry Number: 91776-45-3
• SMILES: [C@@H](CSCC1=C(C=C2C(=C1O)C(C(=C(C2=O)OC)CO)=O)OC)(NC(C)=O)C(O)=O
• InChI: 1S/C19H21NO9S/c1-8(22)20-12(19(26)27)7-30-6-11-13(28-2)4-9-14(16(11)24)15(23)10(5-21)18(29-3)17(9)25/h4,12,21,24H,5-7H2,1-3H3,(H,20,22)(H,26,27)/t12-/m0/s1
• InChIKey: PGMKDNCWQLCJOK-LBPRGKRZSA-N

Properties

• Density: 1.519g/cm³ (Cal.)
• Boiling point: 853.506°C at 760 mmHg (Cal.)
• Flash point: 469.983°C (Cal.)