[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (4R,21R)-4-Carbamoyl-21-Hydroxy-22,22-Dimethyl-2,10,16,20-Tetraoxo-12-Thia-3,9,15,19-Tetraazatricosan-23-Yl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C31H57N10O19P3S
IUPAC Name [[(3r)-4-[[3-[2-[2-[[(5r)-5-acetamido-6-amino-6-oxohexyl]amino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 1004.874 g·mol−1
Heat of Formation -2793.7 ± 16.7 kJ·mol−1
Dipole Moment 13.11 ± 1.08 D
Volume 1167.96 Å 3
Surface Area 964.2 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
InChIKey YGZKIOPJGFQDSR-VLHHDIFDSA-N
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