1alpha-Acetylmitomycin C
[CAS# 1102-95-0]

Identification

• Name: 1alpha-Acetylmitomycin C
• Synonyms: Azirino(2',3':3,4)Pyrrolo(1,2-A)Indole-4,7-Dione, 1,1A,2,8,8A,8B-Hexahydro-1-Ace; Azirino(2',3':3,4)Pyrrolo(1,2-A)Indole-4,7-Dione, 1,1A,2,8,8A,8B-Hexahydro-1-Acetyl-6-Amino-8-(Hydroxymethyl)-8A-Methoxy-5-Methyl-, Carbamate; Brn 0590954
• Molecular Formula: C₁₇H₂₀N₄O₆
• Molecular Weight: 376.37
• CAS Registry Number: 1102-95-0
• SMILES: [C@]13(OC)N(C2=C([C@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N)CC4N(C34)C(=O)C
• InChI: 1S/C17H20N4O6/c1-6-11(18)14(24)10-8(5-27-16(19)25)17(26-3)15-9(21(15)7(2)22)4-20(17)12(10)13(6)23/h8-9,15H,4-5,18H2,1-3H3,(H2,19,25)/t8-,9?,15?,17-,21?/m1/s1
• InChIKey: RLPARBOQTNGFMR-CXJMUXJASA-N

Properties

• Density: 1.557g/cm³ (Cal.)
• Boiling point: 654.301°C at 760 mmHg (Cal.)
• Flash point: 349.509°C (Cal.)