N-(4-(2,3,4,6-Tetra-O-acetyl-D-glucopyranosyl)oxy)phenylmitomycin C
[CAS# 134136-38-2]

Identification

• Name: N-(4-(2,3,4,6-Tetra-O-acetyl-D-glucopyranosyl)oxy)phenylmitomycin C
• Synonyms: Mc 77; Mc-77; N-(4-(2,3,4,6-Tetra-O-Acetyl-D-Glucopyranosyl)Oxy)Phenylmitomycin C
• Molecular Formula: C₃₅H₄₀N₄O₁₅
• Molecular Weight: 756.72
• CAS Registry Number: 134136-38-2
• SMILES: [C@@]15(N(C2=C([C@H]1COC(=O)N)C(C(=C(C2=O)C)NC3=CC=C(C=C3)O[C@H]4[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O4)COC(=O)C)=O)C[C@H]6[C@@H]5N6)OC
• InChI: 1S/C35H40N4O15/c1-14-25(28(45)24-21(12-49-34(36)46)35(47-6)32-22(38-32)11-39(35)26(24)27(14)44)37-19-7-9-20(10-8-19)53-33-31(52-18(5)43)30(51-17(4)42)29(50-16(3)41)23(54-33)13-48-15(2)40/h7-10,21-23,29-33,37-38H,11-13H2,1-6H3,(H2,36,46)/t21-,22+,23-,29-,30+,31-,32+,33-,35-/m1/s1
• InChIKey: OONKIOWWPLCSQD-NPHOOMDASA-N

Properties

• Density: 1.491g/cm³ (Cal.)
• Boiling point: 849.668°C at 760 mmHg (Cal.)
• Flash point: 467.663°C (Cal.)