6-Azacadeguomycin
[CAS# 96555-48-5]

Identification

• Name: 6-Azacadeguomycin
• Synonyms: 6-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4-Oxo-2H-Pyrazolo[5,4-D]Pyrimidine-3-Carboxylic Acid; 6-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-4-Oxo-2H-Pyrazolo[5,4-D]Pyrimidine-3-Carboxyli
• Molecular Formula: C₁₁H₁₃N₅O₇
• Molecular Weight: 327.25
• CAS Registry Number: 96555-48-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)N2NC(=C3C2=NC(=NC3=O)N)C(O)=O
• InChI: 1S/C11H13N5O7/c12-11-13-7-3(8(20)14-11)4(10(21)22)15-16(7)9-6(19)5(18)2(1-17)23-9/h2,5-6,9,15,17-19H,1H2,(H,21,22)(H2,12,14,20)/t2-,5-,6-,9-/m1/s1
• InChIKey: FYBHIBPUKCABAD-BNMXECBLSA-N

Properties

• Density: 2.405g/cm³ (Cal.)
• Boiling point: 638.247°C at 760 mmHg (Cal.)
• Flash point: 339.8°C (Cal.)