2-Butyl-3-[(2'-{2-[(5xi)-beta-L-lyxo-hexopyranuronosyl]-2H-tetrazol-5-yl}-4-biphenylyl)methyl]-4-oxo-1,3-diazaspiro[4.4]non-1-ene
[CAS# 160205-58-3]

Identification

• Name: 2-Butyl-3-[(2'-{2-[(5xi)-beta-L-lyxo-hexopyranuronosyl]-2H-tetrazol-5-yl}-4-biphenylyl)methyl]-4-oxo-1,3-diazaspiro[4.4]non-1-ene
• Molecular Formula: C₃₁H₃₆N₆O₇
• Molecular Weight: 604.65
• CAS Registry Number: 160205-58-3
• SMILES: CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn(n5)[C@@H]6[C@@H]([C@@H]([C@H](C(O6)C(=O)O)O)O)O
• InChI: 1S/C31H36N6O7/c1-2-3-10-22-32-31(15-6-7-16-31)30(43)36(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)27-33-35-37(34-27)28-25(40)23(38)24(39)26(44-28)29(41)42/h4-5,8-9,11-14,23-26,28,38-40H,2-3,6-7,10,15-17H2,1H3,(H,41,42)/t23-,24-,25-,26?,28+/m1/s1
• InChIKey: FVBDVTHTYLLSQE-GQIUYKFZSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 874.61°C at 760 mmHg (Cal.)
• Flash point: 482.747°C (Cal.)
• Refractive index: 1.728 (Cal.)