(1S,2R,3S,4S,5R,6S)-2,4-Bis{[Ammonio(Imino)Methyl]Amino}-5-({5-Deoxy-2-O-[2-Deoxy-2-(Methylammonio)-α-L-Glucopyranosyl]-3-C-(Hydroxymethyl)-α-L-Lyxofuranosyl}Oxy)-3,6-Dihydroxycyclohexyl Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H42N7O15P
IUPAC Name [(1s,2r,3s,4s,5r,6r)-5-[(2s,3s,4s,5r)-3-[(2r,3r,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-2,4-diguanidino-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 663.570 g·mol−1
Heat of Formation -140.8 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 643.66 Å 3
Surface Area 494.19 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy -2.51 ± eV
Point Group Symmetry C1
InChIKey DCRWHJGCOKPJBN-RZIYEUGXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O N