3'-Azido-5'-O-[(16-Cyano-11-Hydroxy-3-Oxoandrosta-1,4-Dien-17-Yl)Carbonyl]-3'-Deoxythymidine

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Formula C31H15N6O7
IUPAC Name 2-[[[5-[[(6z,13z)-13-cyano-15-methylene-5-oxo-2-(oxomethylene)bicyclo[8.7.0]heptadeca-6,8,9,13-tetraen-3,11,16-triyne-14-carbonyl]oxymethyl]-4-(iminoiminioamino)-2-furyl]amino]methyl]prop-2-enoyl-(oxomethylene)ammonium
Molecular Mass 583.487 g·mol−1
Heat of Formation 2814.5 ± 16.7 kJ·mol−1
Dipole Moment 13.34 ± 1.08 D
Volume 623.22 Å 3
Surface Area 542.28 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -2.36 ± eV
Point Group Symmetry C1
InChIKey OKRHRZHHNPBYMD-RKFWVBDOSA-N
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