3'-Azido-5'-O-[Bis(4-Nitrophenoxy)Phosphoryl]-3'-Deoxythymidine

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Properties Simple | Detailed

Formula C22H20N7O11P
IUPAC Name [[2-(hydroxymethyl)-5-(2-hydroxy-5-methylene-4-oxo-hexahydropyrimidin-2-id-1-yl)-2h-furan-3-id-3-yl]amino]-λ1-azanyl-azanide; hydroxy-(4-nitrobenzene-6-id-1-yl)oxy-phosphanide; [[(4-hydroxyphenyl)-oxo-λ5-azanylidene]-λ4-oxidanylidene]hydrogen(1+)
Molecular Mass 589.408 g·mol−1
Heat of Formation 1168.6 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 598.92 Å 3
Surface Area 466.11 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -2.27 ± eV
Point Group Symmetry C1
InChIKey SZNPXGNCMDBAAE-HSALFYBXSA-N
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