Cadeguomycin
[CAS# 81645-08-1]

Identification

• Name: Cadeguomycin
• Synonyms: 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4-Oxo-1H-Pyrrolo[4,5-E]Pyrimidine-5-Carboxylic Acid; 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-4-Oxo-1H-Pyrrolo[4,5-E]Pyrimidine-5-Carboxylic Acid; 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-4-Keto-1H-Pyrrolo[4,5-E]Pyrimidine-5-Carboxylic Acid
• Molecular Formula: C₁₂H₁₄N₄O₇
• Molecular Weight: 326.27
• CAS Registry Number: 81645-08-1
• SMILES: [C@H]3([N]2C1=C(C(N=C(N1)N)=O)C(=C2)C(=O)O)[C@H](O)[C@H](O)[C@H](O3)CO
• InChI: 1S/C12H14N4O7/c13-12-14-8-5(9(20)15-12)3(11(21)22)1-16(8)10-7(19)6(18)4(2-17)23-10/h1,4,6-7,10,17-19H,2H2,(H,21,22)(H3,13,14,15,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: LVTNUSALLLYISD-KQYNXXCUSA-N

Properties

• Density: 2.213g/cm³ (Cal.)
• Boiling point: 792.743°C at 760 mmHg (Cal.)
• Flash point: 433.235°C (Cal.)