5'-O-(Alanylsulfamoyl)-2-Chloroadenosine

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Properties Simple | Detailed

Formula C13H18ClN7O7S
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-chloro-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2-aminopropanoyl]sulfamate
Molecular Mass 451.843 g·mol−1
Heat of Formation -1018.1 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 454.26 Å 3
Surface Area 345.04 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
InChIKey LZMCAAGVMFMSKC-IZKXYQSCSA-N
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Elements C Cl H O N S