8-Methyl-1,5-Dihydro[1,3,2]Dioxaphosphepino[5,6-C]Pyridine-3,9-Diol 3-Oxide

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Properties Simple | Detailed

Formula C8H10NO5P
IUPAC Name (3s)-3-hydroxy-8-methyl-3-oxo-1,5-dihydro-[1,3,2]dioxaphosphepino[5,6-c]pyridin-9-ol
Molecular Mass 231.142 g·mol−1
Heat of Formation -1072.7 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 232.94 Å 3
Surface Area 219.87 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-10-methyl-4-oxo-3,5-dioxa-9-aza-4$l^{5}-phosphabicyclo[5.4.0]undeca-1(11),7,9-trien-11-ol
  • 4-hydroxy-4-keto-10-methyl-3,5-dioxa-9-aza-4$l^{5}-phosphabicyclo[5.4.0]undeca-1(11),7,9-trien-11-ol
  • tocris-1203
InChIKey KCAJHODRYGNBSX-UHFFFAOYSA-N
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