[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S)-5-[7,8-Dimethyl-2,4-Dioxo-5-(3-Phenylpropanoyl)-1,3,4,5-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl]-2,3,4-Trihydroxypentyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C36H57N9O16P2++++
IUPAC Name [[(2s,3r)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)benzo[g]pteridine-5,10-diium-10-yl]-2,3-dihydroxy-pent-4-ynoxy]-hydroxy-phosphoryl]oxy-oxido-phosphanide; hydron; methanone; methoxymethoxymethanol; 9-methylpurine-1,3,7-triium-6-amine; dihydrate
Molecular Mass 939.884 g·mol−1
Heat of Formation -2568.2 ± 16.7 kJ·mol−1
Dipole Moment 9.62 ± 1.08 D
Volume 1045.56 Å 3
Surface Area 838.79 Å 2
HOMO Energy -7.76 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey ASOSNULLFLNYFZ-NEHYRMIBSA-N
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