(1S,2R,3S,4S,5R,6S)-2,4-Dicarbamimidamido-5-({5-Deoxy-2-O-[2-Deoxy-2-(Methylamino)-α-L-Glucopyranosyl]-3-C-(Hydroxymethyl)-α-L-Lyxofuranosyl}Oxy)-3,6-Dihydroxycyclohexyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C21H42N7O15P
IUPAC Name [(1s,2r,3s,4s,5r,6s)-5-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-2,4-diguanidino-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 663.570 g·mol−1
Heat of Formation -3060.9 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 733.1 Å 3
Surface Area 507.84 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,4s,5r,6s)-2,4-bis(carbamimidamido)-5-{5-deoxy-2-o-[2-deoxy-2-(methylamino)-alpha-l-glucopyranosyl]-3-c-(hydroxymethyl)-alpha-l-lyxofuranosyloxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-2,4-bis(diaminomethylideneamino)-5-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-oxolan-2-yl]oxy-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-2,4-bis(diaminomethylideneamino)-5-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,6-dihydroxycyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-5-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-3-methylamino-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methyl-4-methylol-tetrahydrofuran-2-yl]oxy-2,4-diguanidino-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-5-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-2,4-diguanidino-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-5-[[(2r,3r,4r,5s)-3-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-2-tetrahydropyranyl]oxy]-4-hydroxy-4-(hydroxymethyl)-5-methyl-2-tetrahydrofuranyl]oxy]-2,4-diguanidino-3,6-dihydroxycyclohexyl] dihydrogen phosphate
  • dihydrostreptomycin 6-phosphate
  • o-2-deoxy-2-(methylamino)-alpha-l-glucopyranosyl-(1-2)-o-5-deoxy-3-c-(hydroxymethyl)-alpha-l-lyxofuranosyl-(1-4)-n,n'-bis(aminoiminomethyl)-d-streptamine-6-(dihydrogen phosphate)
CAS Number(s)
  • 33014-54-9
InChIKey DCRWHJGCOKPJBN-TWBNDLJKSA-N
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