(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
Properties
Property | Value |
---|---|
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 |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O N |