(2R,3R,3As,6E,9Ar)-2-(Hydroxymethyl)-6-Imino-2,3,3A,9A-Tetrahydro-6H-Furo[2',3':4,5][1,3]Oxazolo[3,2-A]Pyrimidin-3-Ol

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Properties Simple | Detailed

Formula C9H11N3O4
IUPAC Name (2r,4r,5r,6s)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
Molecular Mass 225.201 g·mol−1
Heat of Formation 588.5 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 212.42 Å 3
Surface Area 211.86 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry Cs
InChIKey BBDAGFIXKZCXAH-PJNBIRNISA-N
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