(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9,21-Tetrahydroxy-8,8-Dimethyl-10,14,19-Trioxo-2,4,6-Trioxa-18-Thia-11,15-Diaza-3,5-Diphosphatricosan-23-Oic Acid 3,5-Dioxide

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Formula C26H78N7O20P3S
IUPAC Name azanidylmethylazanide; (2-azaniumylidene-2-isocyano-ethyl)-methyl-azanide; carbanide; carbon; dihydrogen phosphite; (e)-1,2-dihydroxyethyl(ethylidene)ammonium; dihydroxyphosphanide; ethyne-1,2-diol; hydron; λ1-carbane; s-methanidyl 3-hydroxypropanethioate; methanimine; methanone; methanone; molecular oxygen; oxophosphanide; oxygen; acetylide; hydrate
Molecular Mass 945.006 g·mol−1
Heat of Formation 4853.5 ± 16.7 kJ·mol−1
Dipole Moment 29.27 ± 1.08 D
Volume 1339.67 Å 3
Surface Area 1508.44 Å 2
HOMO Energy -4.68 ± 0.55 eV
LUMO Energy -4.32 ± eV
Point Group Symmetry C1
InChIKey IIYZSYKTQRIPRG-UPWLPGGHSA-N
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