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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Properties Simple | Detailed

Formula C30H42N3O12P
IUPAC Name 4-amino-1-(5-o-{[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)-2(1h)-pyrimidinone
Molecular Mass 667.641 g·mol−1
Heat of Formation 1335.4 ± 16.7 kJ·mol−1
Dipole Moment 12.25 ± 1.08 D
Volume 664.85 Å 3
Surface Area 509.23 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -3.07 ± eV
Point Group Symmetry C1
InChIKey PYRHNBFJHWMQSW-MWGSQWGOSA-N
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