(2S)-{[(2S,3S,4S)-2-Amino-5-(Carbamoyloxy)-3,4-Dihydroxypentanoyl]Amino}[(2R,3S,4R,5R)-5-(5-Fluoro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Acetic Acid (Non-Preferred Name)

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Formula C16H22FN5O12++
IUPAC Name (2r)-2-[[(2s,3s,4s)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-2-[(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Molecular Mass 495.371 g·mol−1
Heat of Formation -2341.5 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 519.59 Å 3
Surface Area 389.86 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey HMDJJEFEFWBAQL-SLOMMUTGSA-N
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