5-{(5S,7R,8S,9R)-8,9-Dihydroxy-2,4-Dioxo-7-[(Phosphonooxy)Methyl]-6-Oxa-1,3-Diazaspiro[4.4]Non-3-Yl}-N-Hydroxy-N-(Hydroxymethyl)-D-Norvaline

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Properties Simple | Detailed

Formula C13H22N3O13P
IUPAC Name (2r)-5-[(5s,7r,8s,9r)-8,9-dihydroxy-2,4-dioxo-7-(phosphonooxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-2-[hydroxy(hydroxymethyl)amino]pentanoic acid
Molecular Mass 459.300 g·mol−1
Heat of Formation -2564.4 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 475.26 Å 3
Surface Area 406.17 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-5-[(2r,3s,4r,5s)-3,4-dihydroxy-7,9-diketo-2-(phosphonooxymethyl)-1-oxa-6,8-diazaspiro[4.4]nonan-8-yl]-2-(hydroxy-methylol-amino)valeric acid
  • (c8-r)-hydantocidin 5'-phosphate
  • [8,9-dihydroxy-3-(4-carboxy-hydroxy-hydroxymethyl-amino-butyl)-2,4-dioxo-6-oxa-1,3-diaza-spiro[4.4]non-7-ylmethyl] phosphate
  • rpd
InChIKey MAXSFYCTFIBEAR-OJMIUMIFSA-N
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