Adenylsuccinic Acid

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Properties Simple | Detailed

Formula C14H18N5O11P
IUPAC Name (2s)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butanedioic acid
Molecular Mass 463.293 g·mol−1
Heat of Formation -2067.1 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 469.3 Å 3
Surface Area 403.02 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]-6-purinyl]amino]butanedioic acid
  • (2s)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
  • (2s)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acid
  • (2s)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]succinic acid
  • 2sa
  • aspartyl adenylate
  • l-aspartic acid, n-(9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purin-6-yl)-
InChIKey OFBHPPMPBOJXRT-VWJPMABRSA-N
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