3-(2-Deoxy-5-O-Phosphonopentofuranosyl)-9-{2-[(Diaminomethylene)Amino]Ethoxy}-3H-Pyrimido[5,4-B][1,4]Benzoxazin-2(10H)-One

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Properties Simple | Detailed

Formula C18H35N6O9P+
IUPAC Name 3-(2-deoxy-5-o-phosphonopentofuranosyl)-9-{2-[(diaminomethylene)amino]ethoxy}-3h-pyrimido[5,4-b][1,4]benzoxazin-2(10h)-one
Molecular Mass 510.479 g·mol−1
Heat of Formation -1549.0 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 523.82 Å 3
Surface Area 463.46 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey GCBWWBGDWVGEAS-CUOATXAZSA-O
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