1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-Deoxy-2-O-[2-Deoxy-2-(Methylamino)-α-D-Glucopyranosyl]-3-C-Formyl-α-D-Lyxofuranosyl}Oxy)-2,5,6-Trihydroxycyclohexane-1,3-Diyl]Diguanidine

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Properties Simple | Detailed

Formula C21H17N7O12
IUPAC Name 2-[(1s,2r,3r,4s,5r,6r)-5-(diaminomethylideneamino)-2-[(2s,3s,4s,5r)-3-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine
Molecular Mass 559.399 g·mol−1
Heat of Formation -2069.0 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 654.8 Å 3
Surface Area 476.62 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-o-(2-deoxy-2-methylamino-alpha-l-glucopyranosyl)-3-c-formyl-beta-l-lyxopentanofuranoside
  • 2-[(1s,2r,3r,4s,5r,6r)-2-[(2s,3s,4s,5r)-3-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-3-methylamino-6-methylol-tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine
  • 2-[(1s,2r,3r,4s,5r,6r)-2-[(2s,3s,4s,5r)-3-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine
  • 2-[(1s,2r,3r,4s,5r,6r)-2-[[(2s,3s,4s,5r)-3-[[(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-2-tetrahydropyranyl]oxy]-4-formyl-4-hydroxy-5-methyl-2-tetrahydrofuranyl]oxy]-5-guanidino-3,4,6-trihydroxycyclohexyl]guanidine
  • 2-[(1s,2r,3r,4s,5r,6r)-5-(diaminomethylideneamino)-2-[(2s,3s,4s,5r)-3-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl]oxy-4-hydroxy-4-methanoyl-5-methyl-oxolan-2-yl]oxy-3,4,6-trihydroxy-cyclohexyl]guanidine
  • agrept
  • agrimycin
  • caswell no. 804
  • d-streptamine, o-2-deoxy-2-(methylamino)-alpha-l-glucopyranosyl-(1-2)-o-5-deoxy-3-c-formyl-alpha-l-lyxofuranosyl-(1-4)-n,n'-bis(aminoiminomethyl)-
  • epa pesticide chemical code 006306
  • gerox
  • hokko-mycin
  • neodiestreptopab
CAS Number(s)
  • 12672-24-1
  • 47814-83-5
  • 47816-81-9
  • 82958-69-8
InChIKey UCSJYZPVAKXKNQ-APUVXCOVSA-N
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