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

Molecule SVG Image

Properties Simple | Detailed

Formula C17H26N8O5+
IUPAC Name (2s,3r,6r)-3-[[(3s)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
Molecular Mass 422.439 g·mol−1
Heat of Formation -642.0 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 497.84 Å 3
Surface Area 392.45 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey CXNPLSGKWMLZPZ-PJQZNRQZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N