(6S,7R)-6-(Hydroxymethyl)-6-Methyl-1,3,5,2,4-Trioxadiphosphocane-2,4,7-Triol 2,4-Dioxide

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Properties Simple | Detailed

Formula C5H12O9P2
IUPAC Name (2r,4r,6s,7r)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
Molecular Mass 278.091 g·mol−1
Heat of Formation -2268.2 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 266.09 Å 3
Surface Area 228.43 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,7r)-2,4-dihydroxy-2,4-diketo-6-methyl-6-methylol-1,3,5-trioxa-2$l^{5},4$l^{5}-diphosphacyclooctan-7-ol
  • (6s,7r)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5-trioxa-2$l^{5},4$l^{5}-diphosphacyclooctan-7-ol
  • 1,3,5,2,4-trioxadiphosphocane-6-methanol, 2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans-
  • 2-c-methyl-d-erythritol 2,4-cyclic diphosphate
  • 2-c-methyl-d-erythritol 2,4-cyclodiphosphate
  • 2c-methyl-d-erythritol 2,4-cyclodiphosphate
  • 3-methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate
  • 3-mthbcp
  • cdi
CAS Number(s)
  • 143488-44-2
InChIKey SFRQRNJMIIUYDI-UHNVWZDZSA-N
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