(2S,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-Hydroxy-2-[(1S)-1-(Phosphonooxy)Ethyl]Tetrahydro-3-Furanyl Aminoacetate

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Properties Simple | Detailed

Formula C13H22N6O9P+
IUPAC Name [5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4,5-dihydroxy-1-methyl-pent-2-ynoxy]-trihydroxy-phosphonium; 2-azaniumylacetate; hydron
Molecular Mass 439.338 g·mol−1
Heat of Formation -1430.8 ± 16.7 kJ·mol−1
Dipole Moment 7.64 ± 1.08 D
Volume 472.9 Å 3
Surface Area 386.99 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
InChIKey IVCCCBMLBBDTPT-JXOUQWPZSA-N
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