1-Phosphatidyl-1D-Myo-Inositol 3-Phosphic Acid

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Properties Simple | Detailed

Formula C11H20O16P2
IUPAC Name (2r)-2-[[hydroxy-[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy]phosphoryl]oxymethyl]butanedioic acid
Molecular Mass 470.214 g·mol−1
Heat of Formation -3569.0 ± 16.7 kJ·mol−1
Dipole Moment 1.78 ± 1.08 D
Volume 470.17 Å 3
Surface Area 373.73 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[hydroxy-[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy]phosphoryl]oxymethyl]butanedioic acid
  • (2r)-2-[[hydroxy-[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy]phosphoryl]oxymethyl]succinic acid
  • (2r)-2-[[hydroxy-[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxymethyl]butanedioic acid
  • (2r)-2-[[hydroxy-[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexoxy]phosphoryl]oxymethyl]butanedioic acid
  • (2r)-2-[[hydroxy-[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxymethyl]butanedioic acid
InChIKey YKMGQFUXYYTRLF-SLJXNWFNSA-N
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