Herbicidin F
[CAS# 72283-61-5]

Identification

• Name: Herbicidin F
• 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-Methyl-2-Butenoate), (4(E),11R)-
• Molecular Formula: C₂₃H₂₉N₅O₁₀
• Molecular Weight: 535.51
• CAS Registry Number: 72283-61-5
• SMILES: [C@H]25O[C@]1(O)[C@H](O[C@@H]([C@@H](O)[C@@H]1OC(=O)C(=C/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/C23H29N5O10/c1-5-9(2)21(30)37-17-13(29)15(22(31)34-4)36-11-6-10-14(38-23(11,17)32)16(33-3)20(35-10)28-8-27-12-18(24)25-7-26-19(12)28/h5,7-8,10-11,13-17,20,29,32H,6H2,1-4H3,(H2,24,25,26)/b9-5+/t10-,11-,13-,14+,15+,16-,17+,20-,23-/m1/s1
• InChIKey: PXURTMJWRXVZEJ-SYDSVXEMSA-N

Properties

• Density: 1.72g/cm³ (Cal.)
• Boiling point: 774.018°C at 760 mmHg (Cal.)
• Flash point: 421.911°C (Cal.)