4-Amino-7-(2,7-Dihydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile

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Properties Simple | Detailed

Formula C12H12N5O6P
IUPAC Name [2-[[3,4-dicyano-2-(cyanoamino)pyrrol-1-yl]methoxy]-3-oxo-allyloxy]-oxido-oxo-phosphonium; formaldehyde
Molecular Mass 353.227 g·mol−1
Heat of Formation -43.0 ± 16.7 kJ·mol−1
Dipole Moment 9.01 ± 1.08 D
Volume 331.09 Å 3
Surface Area 296.81 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
InChIKey WCXYPZXNWAXKGR-UHFFFAOYSA-N
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