Saframycin Mx1
[CAS# 113036-78-5]

Identification

• Name: Saframycin Mx1
• Synonyms: Saframycin Mx1
• Molecular Formula: C₂₉H₃₈N₄O₉
• Molecular Weight: 586.64
• CAS Registry Number: 113036-78-5
• SMILES: [C@@H]14N([C@@H]([C@H](O)N2[C@H]1CC3=C([C@@H]2CNC(=O)[C@@H](N)C)C(=O)C(=C(C3=O)C)OC)[C@@H](OC)C5=C(O)C(=C(OC)C(=C45)O)C)C
• InChI: 1S/C29H38N4O9/c1-10-21(34)13-8-14-19-17-18(22(35)11(2)26(41-6)24(17)37)27(42-7)20(32(19)4)29(39)33(14)15(9-31-28(38)12(3)30)16(13)23(36)25(10)40-5/h12,14-15,19-20,27,29,35,37,39H,8-9,30H2,1-7H3,(H,31,38)/t12-,14-,15-,19+,20+,27-,29-/m0/s1
• InChIKey: QSLZNGPMBOCIAZ-QSNGQZDXSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 765.612°C at 760 mmHg (Cal.)
• Flash point: 416.827°C (Cal.)