2(1H)-Pyrimidinone, 4-Amino-1-[4-Amino-6-O-(3-Amino-3-Deoxyhexopyranosyl)-4-Deoxyundecopyranosyl]-

Molecule SVG Image

Properties Simple | Detailed

Formula C21H37N5O14+
IUPAC Name 4-amino-1-[(2r,3r,4s,5s,6s)-5-amino-6-[(1s,2s,3s,4s,5s)-1-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,5,6-pentahydroxy-hexyl]-3,4-dihydroxy-tetrahydropyran-2-yl]pyrimidin-2-one
Molecular Mass 583.544 g·mol−1
Heat of Formation -2534.4 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 645.05 Å 3
Surface Area 489.97 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey VQQSDVBOXQHCHU-MJTFFOEXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N