N-[9-(α-D-Ribofuranosyl)-9H-Purin-6-Yl]-L-Aspartic Acid

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Properties Simple | Detailed

Formula C14H17N5O8
IUPAC Name (2s)-2-[[9-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butanedioic acid
Molecular Mass 383.313 g·mol−1
Heat of Formation -1208.7 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 406.33 Å 3
Surface Area 355.4 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[9-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-purinyl]amino]butanedioic acid
  • (2s)-2-[[9-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
  • (2s)-2-[[9-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acid
  • (2s)-2-[[9-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]succinic acid
  • l-aspartic acid, n-(9-beta-d-ribofuranosyl-9h-purin-6-yl)-
  • succinyladenosine
CAS Number(s)
  • 30651-34-4
  • 4542-23-8
  • 50816-93-8
InChIKey VKGZCEJTCKHMRL-MDBUBQOGSA-N
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