5'-O-[(S)-{[(R)-({(2R,3Z)-4-[(6R)-2-Amino-4-Oxo-1,4,5,6-Tetrahydro-6-Pteridinyl]-2-Hydroxy-3,4-Disulfanyl-3-Buten-1-Yl}Oxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Guanosine

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Properties Simple | Detailed

Formula C20H26N10O13P2S2
IUPAC Name [[(z,2r)-4-[(6r)-2-amino-4-oxo-5,6-dihydro-1h-pteridin-6-yl]-2-hydroxy-3,4-bis(sulfanyl)but-3-enoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 740.557 g·mol−1
Heat of Formation -2348.4 ± 16.7 kJ·mol−1
Dipole Moment 14.27 ± 1.08 D
Volume 740.36 Å 3
Surface Area 507.38 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
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InChIKey IRGDLSAXQOKWLX-XHEYTWMPSA-N
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