5'-O-(L-Valylsulfamoyl)Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C15H23N7O7S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl n-[(2s)-2-amino-3-methylbutanoyl]sulfamate
Molecular Mass 445.451 g·mol−1
Heat of Formation -1032.7 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 482.44 Å 3
Surface Area 387.25 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 5'o-[n-(l-valyl)sulphamoyl]adenosine
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl n-[(2s)-2-amino-3-methyl-butanoyl]sulfamate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[(2s)-2-amino-3-methyl-butanoyl]sulfamate
  • n-[(2s)-2-amino-3-methyl-1-oxobutyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • n-[(2s)-2-amino-3-methyl-butanoyl]sulfamic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • vms
InChIKey TXCZGHBHNXNXMA-CYUGOOACSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N