Methyl 6-Acetylsulfanyl-8-[2-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl-Formylamino]-5-Hydroxypent-2-En-3-Yl]Disulfanyloctanoate
[CAS# 137-86-0]

Identification

• Name: Methyl 6-Acetylsulfanyl-8-[2-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl-Formylamino]-5-Hydroxypent-2-En-3-Yl]Disulfanyloctanoate
• Synonyms: Methyl 6-Acetylsulfanyl-8-[(E)-2-[(4-Amino-2-Methylpyrimidin-5-Yl)Methyl-Formylamino]-5-Hydroxypent-2-En-3-Yl]Disulfanyloctanoate; Methyl 6-Acetylsulfanyl-8-[2-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-1-(2-Hydroxyethyl)Prop-1-Enyl]Disulfanyl-Octanoate; Methyl 6-Acetylsulfanyl-8-[(E)-2-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl-Formyl-Amino]-1-(2-Hydroxyethyl)Prop-1-Enyl]Disulfanyl-Octanoate
• Molecular Formula: C₂₃H₃₆N₄O₅S₃
• Molecular Weight: 544.74
• CAS Registry Number: 137-86-0
• SMILES: C1=NC(=NC(=C1CN(C(=C(SSCCC(SC(=O)C)CCCCC(OC)=O)\CCO)/C)C=O)N)C
• InChI: 1S/C23H36N4O5S3/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4/h13,15,20,28H,5-12,14H2,1-4H3,(H2,24,25,26)/b21-16+
• InChIKey: VJTXQHYNRDGLON-LTGZKZEYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 722.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 390.5±32.9°C (Cal.)