(2S,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydro-2-Furanyl (4R)-2-Methyl-3,4,5,6-Tetrahydro-4-Pyrimidinecarboperoxoate

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Properties Simple | Detailed

Formula C11H18N2O7
IUPAC Name [(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl] (6r)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate
Molecular Mass 290.270 g·mol−1
Heat of Formation -959.8 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 320.35 Å 3
Surface Area 277.35 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboperoxoic acid [(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl] ester
  • (4r)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboperoxoic acid [(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl] ester
  • 4-pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-4-(beta-d-ribofuranosyloxy)-, (r)-
  • [(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (4r)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboperoxoate
  • [(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl] (4r)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboperoxoate
  • rhizolotine
CAS Number(s)
  • 102731-62-4
InChIKey XWPMRSCVYZQHCL-VCMDJLOCSA-N
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