Herbicidin A
[CAS# 55353-31-6]

Identification

• Name: Herbicidin A
• Synonyms: Alpha-L-Ido-D-Lyxo-5-Undeculo-5,9-Pyranosonic Acid, 11-C-(6-Amino-9H-Purin-9-Yl)-2,6:8,11-Dianhydro-7-Deoxy-10-O-Methyl-, Methyl Ester, 4-(2-(Hydroxymethyl)-2-Butenoate), (4(E),11R)-; Aids-187912; Aids187912
• Molecular Formula: C₂₃H₂₉N₅O₁₁
• Molecular Weight: 551.51
• CAS Registry Number: 55353-31-6
• SMILES: [C@H]25O[C@]1(O)[C@H](O[C@@H]([C@@H](O)[C@@H]1OC(=O)C(/CO)=C/C)C(OC)=O)C[C@H]2O[C@@H]([N]3C4=C(N=C3)C(=NC=N4)N)[C@@H]5OC
• InChI: 1S/C23H29N5O11/c1-4-9(6-29)21(31)38-17-13(30)15(22(32)35-3)37-11-5-10-14(39-23(11,17)33)16(34-2)20(36-10)28-8-27-12-18(24)25-7-26-19(12)28/h4,7-8,10-11,13-17,20,29-30,33H,5-6H2,1-3H3,(H2,24,25,26)/b9-4+/t10-,11-,13-,14+,15+,16-,17+,20-,23-/m1/s1
• InChIKey: LOWKANMKNQBRPJ-MRAUHCMASA-N

Properties

• Density: 1.782g/cm³ (Cal.)
• Boiling point: 826.458°C at 760 mmHg (Cal.)
• Flash point: 453.625°C (Cal.)