7-N-(4-O-Sialosylphenyl)-9-methoxymitosane methyl ester
[CAS# 134136-44-0]

Identification

• Name: 7-N-(4-O-Sialosylphenyl)-9-methoxymitosane methyl ester
• Synonyms: D-Glycero-Alpha-D-Galacto-2-Nonulopyranosidonic Acid, 4-((8-(((Aminocarbonyl)Oxy)Methyl)-1,1A,2,4,7,8,8A,8B-Octahydro-8A-Methoxy-5-Methyl-4,7-Dioxoazirino(2',3':3,4)Pyrrolo(1,2-A)Indol-6-Yl)Amino)Phenyl 5-(Acetylamino)-3,5-Dideoxy-, Methyl Ester, (1As-(1Aalpha,8Beta,8Aalpha,8Balpha))-; Methyl (1As-(1Aalpha,8Beta,8Aalpha,8Balpha))-4-((8-(((Aminocarbonyl)Oxy)Methyl)-1,1A,2,4,7,8,8A,8B-Octahydro-8A-Methoxy-5-Methyl-4,7-Dioxoazirino(2',3':3,4)Pyrrolo(1,2-A)Indol-6-Yl)Amino)Phenyl 5-(Acetylamino)-3,5-Dideoxy-D-Glycero-Alpha-D-Galacto-2-Nonulopyranosidonate; Methyl 4-((8-(((Aminocarbonyl)Oxy)Methyl)-1,1A,2,4,7,8,8A,8B-Octahydro-8A-Methoxy-5-Methyl-4,7-Dioxoazirino(2',3':3,4)Pyrrolo(1,2-A)Indol-6-Yl)Amino)Phenyl 5-(Acetylamino)-3,5-Dideoxy-D-Glycero-Alpha-D-Galacto-2-Nonulopyranosidonate (1As-(1Aalpha,8Beta,8Aalpha,8Balpha))-
• Molecular Formula: C₃₃H₄₁N₅O₁₄
• Molecular Weight: 731.71
• CAS Registry Number: 134136-44-0
• SMILES: C5=C(NC4=C(C(=O)C1=C(C(C2(OC)N1CC3NC23)COC(=O)N)C4=O)C)C=CC(=C5)OC6(OC(C(NC(=O)C)C(O)C6)C(O)C(O)CO)C(OC)=O
• InChI: 1S/C33H41N5O14/c1-13-22(27(45)21-17(12-50-31(34)47)33(49-4)29-18(37-29)10-38(33)24(21)25(13)43)36-15-5-7-16(8-6-15)51-32(30(46)48-3)9-19(41)23(35-14(2)40)28(52-32)26(44)20(42)11-39/h5-8,17-20,23,26,28-29,36-37,39,41-42,44H,9-12H2,1-4H3,(H2,34,47)(H,35,40)
• InChIKey: SYJUIEAAMSRTQU-UHFFFAOYSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 1058.867°C at 760 mmHg (Cal.)
• Flash point: 594.181°C (Cal.)