Tacrolimus

Molecule SVG Image

Properties Simple | Detailed

Formula C44H69NO12
IUPAC Name tacrolimus
Molecular Mass 804.018 g·mol−1
Heat of Formation -2315.1 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 1012.71 Å 3
Surface Area 698.07 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 15,19-epoxy-3h-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23h)-tetrone,
  • 4,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-heptadecahydro-5,19-dihydroxy-3-
  • 8-deethyl-8-[but-3-enyl]-ascomycin
  • [(e)-2-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-
  • advagraf
  • dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-,(3s,4r,5s,8r,12s,14s,15r,16s,18r,19r,26as)-
  • fk 506
  • fk5
  • fk506
  • fr-900506
  • k506
  • l-679934
  • lcp-tacro
  • lmpk01000002
  • protopy
InChIKey QJJXYPPXXYFBGM-LFZNUXCKSA-N
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