{4-[(2R,4S,6R)-2-[4-(Aminomethyl)Phenyl]-6-{[(4,5-Diphenyl-1,3-Oxazol-2-Yl)Sulfanyl]Methyl}-1,3-Dioxan-4-Yl]Phenyl}Methanol

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Properties Simple | Detailed

Formula C34H32N2O4S
IUPAC Name [4-[(2r,4s,6r)-2-[4-(aminomethyl)phenyl]-6-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-1,3-dioxan-4-yl]phenyl]methanol
Molecular Mass 564.694 g·mol−1
Heat of Formation -196.0 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 664.55 Å 3
Surface Area 480.12 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(2r,4s,6r)-2-[4-(aminomethyl)phenyl]-6-[[4,5-di(phenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-1,3-dioxan-4-yl]phenyl]methanol
  • [4-[(2r,4s,6r)-2-[4-(aminomethyl)phenyl]-6-[[4,5-di(phenyl)oxazol-2-yl]sulfanylmethyl]-1,3-dioxan-4-yl]phenyl]methanol
  • [4-[(2r,4s,6r)-2-[4-(aminomethyl)phenyl]-6-[[[4,5-di(phenyl)-2-oxazolyl]thio]methyl]-1,3-dioxan-4-yl]phenyl]methanol
  • [4-[(2r,4s,6r)-2-[4-(aminomethyl)phenyl]-6-[[[4,5-di(phenyl)oxazol-2-yl]thio]methyl]-1,3-dioxan-4-yl]phenyl]methanol
  • diox2_022909
  • diox3_000472
InChIKey LHHFSQJSPYQFHV-ROCBYOHGSA-N
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