1-(4-{[(3S)-3-Amino-5-(N-Methylcarbamimidamido)Pentanoyl]Amino}-2,3,4-Trideoxy-β-D-Erythro-Hex-2-Enopyranuronosyl)-4-Hydroxy-2(1H)-Pyrimidinone

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Formula C17H25N7O6+
IUPAC Name (2s,3s,6r)-3-[[(3s)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-hydroxy-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
Molecular Mass 423.424 g·mol−1
Heat of Formation -856.9 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 485.1 Å 3
Surface Area 409.31 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey REIIQZAQCCFGIJ-ZNIXKSQXSA-N
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