[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-(Aziridin-1-Yl)-2-Methyloxan-3-Yl] Methanesulfonate
[CAS# 171047-47-5]

Identification

• Name: [(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-(Aziridin-1-Yl)-2-Methyloxan-3-Yl] Methanesulfonate
• Synonyms: [(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-(Aziridin-1-Yl)-2-Methyl-Tetrahydropyran-3-Yl] Methanesulfonate; Methanesulfonic Acid [(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-(1-Aziridinyl)-2-Methyl-3-Tetrahydropyranyl] Ester; Methanesulfonic Acid [(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Diketo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-Ethylenimino-2-Methyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₉H₃₁NO₁₁S
• Molecular Weight: 601.62
• CAS Registry Number: 171047-47-5
• SMILES: [C@@H]6([C@@H](N1CC1)C[C@H](O[C@@H]5C4=C(C3=C(C(C2=CC=CC=C2C3=O)=O)C(=C4C[C@](C5)(C(=O)C)O)O)O)O[C@H]6C)O[S](=O)(=O)C
• InChI: 1S/C29H31NO11S/c1-13-28(41-42(3,37)38)18(30-8-9-30)10-20(39-13)40-19-12-29(36,14(2)31)11-17-21(19)27(35)23-22(26(17)34)24(32)15-6-4-5-7-16(15)25(23)33/h4-7,13,18-20,28,34-36H,8-12H2,1-3H3/t13-,18-,19-,20-,28+,29-/m0/s1
• InChIKey: VMDWTZZCNDEKIO-CBNJBKGYSA-N

Properties

• Density: 1.594g/cm³ (Cal.)
• Boiling point: 800.251°C at 760 mmHg (Cal.)
• Flash point: 437.776°C (Cal.)