1-Deoxy-6-O-Phosphono-1-[(Phosphonomethyl)Amino]-D-Mannitol

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Properties Simple | Detailed

Formula C7H19NO11P2
IUPAC Name [[(2r,3r,4r,5r)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl]amino]methylphosphonic acid
Molecular Mass 355.173 g·mol−1
Heat of Formation -2640.0 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 370.46 Å 3
Surface Area 332.84 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol
  • [[(2r,3r,4r,5r)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl]amino]methylphosphonic acid
  • [[(2r,3r,4r,5r)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexyl]amino]methylphosphonic acid
  • h4p
InChIKey YAEYOLVKVWEHNB-DBRKOABJSA-N
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