D-(+)-Octopine

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Properties Simple | Detailed

Formula C9H18N4O4
IUPAC Name (2s)-2-[[(1r)-1-carboxylatoethyl]ammonio]-5-(diaminomethyleneammonio)pentanoate
Molecular Mass 246.264 g·mol−1
Heat of Formation -753.4 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 302.17 Å 3
Surface Area 284.8 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-(diaminomethyleneazaniumyl)-2-[(1r)-1-methyl-2-oxido-2-oxo-ethyl]ammonio-pentanoate
  • (2s)-5-(diaminomethyleneazaniumyl)-2-[(1r)-1-methyl-2-oxido-2-oxoethyl]ammoniopentanoate
  • (2s)-5-(diaminomethyleneazaniumyl)-2-[(1r)-2-keto-1-methyl-2-oxido-ethyl]ammonio-valerate
  • (2s)-5-(diaminomethylideneazaniumyl)-2-[(2r)-1-oxido-1-oxo-propan-2-yl]azaniumyl-pentanoate
  • (2s)-5-(diaminomethylideneazaniumyl)-2-[(2r)-1-oxido-1-oxopropan-2-yl]azaniumylpentanoate
CAS Number(s)
  • 14358-35-1
  • 23449-95-8
  • 33034-23-0
  • 499-45-6
InChIKey IMXSCCDUAFEIOE-RITPCOANSA-N
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