2-[2-({(2E,6E)-3-(Hydroxymethyl)-7-Methyl-9-[(1R,6R)-1,2,6-Trimethyl-2-Cyclohexen-1-Yl]-2,6-Nonadien-1-Yl}Sulfonyl)Ethyl]Guanidine

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Properties Simple | Detailed

Formula C23H41N3O3S
IUPAC Name 2-[2-[(2e,6e)-3-(hydroxymethyl)-7-methyl-9-[(1r,6r)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
Molecular Mass 439.655 g·mol−1
Heat of Formation -613.4 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 569.47 Å 3
Surface Area 400.94 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(1alpha(2e,6e),6beta))-(2-((3-(hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)guanidine
  • (2-((3-(hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)guanidine (1r-(1alpha(2e,6e),6beta))-
  • 2-[2-[(2e,6e)-3-(hydroxymethyl)-7-methyl-9-[(1r,6r)-1,2,6-trimethyl-1-cyclohex-2-enyl]nona-2,6-dienyl]sulfonylethyl]guanidine
  • 2-[2-[(2e,6e)-7-methyl-3-methylol-9-[(1r,6r)-1,2,6-trimethyl-1-cyclohex-2-enyl]nona-2,6-dienyl]sulfonylethyl]guanidine
  • agelasidine d
  • guanidine, (2-((3-(hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)-, (1r-(1alpha(2e,6e),6beta))-
CAS Number(s)
  • 139680-61-8
InChIKey ZWSGURSNDHDWDQ-MMYYNYMCSA-N
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