N-((2-Acetamide-3,4,6-tri-O-acetyl-2-deoxy-D-glucopyranosyl)aminocarbonyl)propylmitomycin C
[CAS# 139112-45-1]

Identification

• Name: N-((2-Acetamide-3,4,6-tri-O-acetyl-2-deoxy-D-glucopyranosyl)aminocarbonyl)propylmitomycin C
• Synonyms: Mc 62; Mc-62; N-((2-Acetamide-3,4,6-Tri-O-Acetyl-2-Deoxy-D-Glucopyranosyl)Aminocarbonyl)Propylmitomycin C
• Molecular Formula: C₃₃H₄₄N₆O₁₄
• Molecular Weight: 748.74
• CAS Registry Number: 139112-45-1
• SMILES: C(OC(=O)N)C3C1(OC)N(CC2NC12)C4=C3C(=O)C(=C(C4=O)C)NCCCC(=O)NC5OC(C(OC(=O)C)C(OC(=O)C)C5NC(=O)C)COC(=O)C
• InChI: 1S/C33H44N6O14/c1-13-23(27(46)22-18(11-50-32(34)47)33(48-6)30-19(37-30)10-39(33)25(22)26(13)45)35-9-7-8-21(44)38-31-24(36-14(2)40)29(52-17(5)43)28(51-16(4)42)20(53-31)12-49-15(3)41/h18-20,24,28-31,35,37H,7-12H2,1-6H3,(H2,34,47)(H,36,40)(H,38,44)
• InChIKey: ZRPXANWPZVSJIZ-UHFFFAOYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 978.091°C at 760 mmHg (Cal.)
• Flash point: 545.33°C (Cal.)