[(3As,4R,6Z,9S)-2-Amino-5,10,10-Trihydroxy-6-Imino-9-(Sulfooxy)-3A,4,5,6,9,10-Hexahydro-3H,8H-Pyrrolo[1,2-C]Purin-4-Yl]Methyl Carbamate

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Formula C10H17N7O9S+
IUPAC Name [(3as,4r,9s,10as)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Molecular Mass 411.348 g·mol−1
Heat of Formation -1281.1 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 405.68 Å 3
Surface Area 328.57 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey CETRDCWBMBILAL-MQBYIJFVSA-N
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