Herbicidin B
[CAS# 55353-32-7]

Identification

• Name: Herbicidin B
• Synonyms: Herbicidin B
• Molecular Formula: C₁₈H₂₃N₅O₉
• Molecular Weight: 453.41
• CAS Registry Number: 55353-32-7
• SMILES: [C@H]1(O[C@H]2[C@@H]([C@H]1OC)O[C@@]3([C@@H](C2)O[C@@H]([C@H]([C@@H]3O)O)C(=O)OC)O)[N]4C=NC5=C4N=CN=C5N
• InChI: 1S/C18H23N5O9/c1-28-12-10-6(30-16(12)23-5-22-8-14(19)20-4-21-15(8)23)3-7-18(27,32-10)13(25)9(24)11(31-7)17(26)29-2/h4-7,9-13,16,24-25,27H,3H2,1-2H3,(H2,19,20,21)/t6-,7-,9-,10+,11+,12-,13+,16-,18-/m1/s1
• InChIKey: GZBSICLBZYSADI-DHNWSQMASA-N

Properties

• Density: 2.002g/cm³ (Cal.)
• Boiling point: 746.598°C at 760 mmHg (Cal.)
• Flash point: 405.328°C (Cal.)