(6E)-5-Amino-6-[(3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxydihydro-2(3H)-Furanylidene]Norleucine

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Properties Simple | Detailed

Formula C15H21N7O5
IUPAC Name (2s,5s,6z)-2,5-diamino-6-[(3s,4s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-ylidene]hexanoic acid
Molecular Mass 379.371 g·mol−1
Heat of Formation -649.3 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 428.62 Å 3
Surface Area 362.34 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey YNKCTZQHSHSLNN-FQWZQXKPSA-O
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