5-[(6-Amino-9H-Purin-9-Yl)Methyl]-5-Methyl-3-Methylenedihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C12H13N5O2
IUPAC Name (5s)-5-[(6-aminopurin-9-yl)methyl]-5-methyl-3-methylene-tetrahydrofuran-2-one
Molecular Mass 259.264 g·mol−1
Heat of Formation -39.2 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 298.64 Å 3
Surface Area 267.92 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey FCZOVUJWOBSMSS-GFCCVEGCSA-O
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