4-{[(4Ar,6R,7R,7Ar)-6-(6-Amino-9H-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Yl]Oxy}-4-Oxobutanoic Acid

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Formula C14H6N5O9P
IUPAC Name [(8r)-8-cyano-9-(cyanoamino)-3,6-dioxo-13-(oxomethylene)-14-phosphooxy-2,7,12-trioxa-10-azoniabicyclo[9.3.0]tetradeca-9,10-dien-4-yn-8-yl]-methylidyne-ammonium
Molecular Mass 419.199 g·mol−1
Heat of Formation -323.8 ± 16.7 kJ·mol−1
Dipole Moment 11.70 ± 1.08 D
Volume 396.96 Å 3
Surface Area 348.17 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -2.18 ± eV
Point Group Symmetry C1
InChIKey QNPSLGPIZRJDAN-BIUKKNOZSA-N
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