Oxacyclohexane open ring tacrolimus
[CAS# 144432-23-5]

Identification

• Name: Oxacyclohexane open ring tacrolimus
• Synonyms: (5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetrone
• Molecular Formula: C₄₄H₇₁NO₁₃
• Molecular Weight: 822.03
• CAS Registry Number: 144432-23-5
• SMILES: C[C@@H]1C[C@@H]([C@H]([C@H](C[C@H](C(=O)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)C)CC=C)O)C)/C(=C/[C@@H]3CC[C@H]([C@@H](C3)OC)O)/C)(O)O)C)OC)O)OC

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.552, Calc.^*
• Boiling Point: 934.0±65.0 °C (760 mmHg), Calc.^*
• Flash Point: 518.6±34.3 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.