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

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Properties Simple | Detailed

Formula C18H29N8O6+
IUPAC Name (2s,3s,6r)-3-[[(3s)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxo-pyrimidin-1-yl]-3,6-dihydro-2h-pyran-2-carboxylic acid
Molecular Mass 453.473 g·mol−1
Heat of Formation -861.2 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 530.23 Å 3
Surface Area 440.82 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey MDTSQXWUAJPTCD-VTPLQMEGSA-N
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