4-Amino-1-(5-O-{[(11,17-Dihydroxy-3,20-Dioxopregn-4-En-21-Yl)Oxy](Hydroxy)Phosphoryl}Pentofuranosyl)-2(1H)-Pyrimidinone

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Formula C30H42N3O12P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hydrogen phosphate
Molecular Mass 667.641 g·mol−1
Heat of Formation -2406.8 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 736.85 Å 3
Surface Area 572.85 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey PYRHNBFJHWMQSW-MWVLNEDLSA-N
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