(2R,4S,5S)-N-[(2S,3R,4S)-1-Cyclohexyl-3,4-Dihydroxy-6-Methyl-2-Heptanyl]-2-(Cyclopropylmethyl)-4,5-Dihydroxy-6-Phenylhexanamide

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Formula C30H49NO5
IUPAC Name (2r,4s,5s)-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenyl-hexanamide
Molecular Mass 503.714 g·mol−1
Heat of Formation -1128.7 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 676.48 Å 3
Surface Area 533.7 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5s)-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenyl-hexanamide
  • (2r,4s,5s)-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide
  • (2r,4s,5s)-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methyl-heptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenyl-hexanamide
  • ppp-cpp-cha-ip3
InChIKey LRMIUNSMKAGCAH-ZGLCPUQGSA-N
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