N-[(1S,2R,3R,4S,5S,6R)-4-Amino-3-({(2R,3R,6S)-3-Amino-6-[(1S)-1-Aminoethyl]Tetrahydro-2H-Pyran-2-Yl}Oxy)-2,5-Dihydroxy-6-Methoxycyclohexyl]-N~2~-Carbamoyl-N-Methylglycinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C18H36N6O7
IUPAC Name n-[(1s,2r,3r,4s,5s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-[(1s)-1-aminoethyl]tetrahydropyran-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-n-methyl-2-ureido-acetamide
Molecular Mass 448.514 g·mol−1
Heat of Formation -1383.7 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 535.3 Å 3
Surface Area 414.89 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
InChIKey VKGIGFQBOYWLHV-APGVDKLISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N