[(1S,3S,4R)-4-(6-Amino-9H-Purin-9-Yl)-2,3-Dihydroxycyclopentyl]-L-Methionine

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Properties Simple | Detailed

Formula C15H22N6O4S
IUPAC Name (2r)-2-amino-4-[[(1r,2s,3r,4s)-4-(6-aminopurine-1,3,7-triium-9-yl)-2,3-dihydroxy-cyclopentyl]methylsulfanyl]butanoic acid
Molecular Mass 382.438 g·mol−1
Heat of Formation -514.3 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 433.89 Å 3
Surface Area 377.22 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey MZBVTOOFTWJQRK-TWXYISROSA-N
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