1-Deoxy-1-[6-(Hydroxymethyl)-2,4-Dioxo-3,4-Dihydro-8(2H)-Pteridinyl]-D-Ribitol

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Properties Simple | Detailed

Formula C12H17N4O7
IUPAC Name 6-(hydroxymethyl)-8-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-7h-pteridine-1,5-diium-7-ide-2,4-dione
Molecular Mass 329.286 g·mol−1
Heat of Formation -1094.8 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 351.03 Å 3
Surface Area 312.8 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
InChIKey RTNMDIMJQSRAGT-BHNWBGBOSA-P
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