3'-Desamino-3'-Dimethylformamidine Rubomycin
[CAS# 99132-20-4]

Identification

• Name: 3'-Desamino-3'-Dimethylformamidine Rubomycin
• Synonyms: N'-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]-N,N-Dimethyl-Formamidine; N'-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dio
• Molecular Formula: C₃₀H₃₄N₂O₁₀
• Molecular Weight: 582.61
• CAS Registry Number: 99132-20-4
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N=CN(C)C)C1)C)C2=C(O)C5=C(C(=C2C[C@](O)(C3)C(=O)C)O)C(=O)C4=CC=CC(=C4C5=O)OC
• InChI: 1S/C30H34N2O10/c1-13-25(34)17(31-12-32(3)4)9-20(41-13)42-19-11-30(39,14(2)33)10-16-22(19)29(38)24-23(27(16)36)26(35)15-7-6-8-18(40-5)21(15)28(24)37/h6-8,12-13,17,19-20,25,34,36,38-39H,9-11H2,1-5H3/t13-,17-,19-,20-,25+,30-/m0/s1
• InChIKey: PLCOEGCLZKLYFV-IIVDXZBSSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 793.83°C at 760 mmHg (Cal.)
• Flash point: 433.893°C (Cal.)