5'-O-[(S)-[(2S)-2-Amino-4-(Methylsulfanyl)Butoxy](Hydroxy)Phosphoryl]-4-Hydroadenosine

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Properties Simple | Detailed

Formula C15H27N6O7PS
IUPAC Name [(2r,3s,4r,5r)-5-[(4s)-6-amino-1,4-dihydropurin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2s)-2-amino-4-methylsulfanyl-butyl] hydrogen phosphate
Molecular Mass 466.450 g·mol−1
Heat of Formation -1274.5 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 513.3 Å 3
Surface Area 433.81 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey GJUQRKWTINGHCW-BSLSGSKYSA-N
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Elements C H O N P S