9-(5-O-{[(5-Amino-6-Oxohexyl)Amino](Hydroxy)Phosphoryl}Pentofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C16H20N7O7P
IUPAC Name [(2z)-1-cyano-2-[[3-(4-cyanobuta-1,3-diynylamino)dioxaphosphiran-3-ium-3-yl]oxymethyl-[(hydroperoxymethylamino)methyl]amino]-2-ethylimino-ethyl]-methylidyne-ammonium; formaldehyde
Molecular Mass 453.346 g·mol−1
Heat of Formation 1517.8 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 454.44 Å 3
Surface Area 368.15 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -2.96 ± eV
Point Group Symmetry C1
InChIKey JVYVZNSNEJRNON-UHFFFAOYSA-N
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