3'-O-1-Naphthoyladenosine 5'-(Trihydrogen Diphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21N5O11P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2,8-dihydropurin-9-yl)-4-hydroxy-3-(3-methyl-2-methylene-butanoyl)oxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
Molecular Mass 581.366 g·mol−1
Heat of Formation -2165.6 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 580.15 Å 3
Surface Area 446.88 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthalenecarboxylic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
  • 3'-o-(naphthoyl-1)adenosine diphosphate
  • 3-np-adp
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] naphthalene-1-carboxylate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
  • adenosine 5'-(trihydrogen diphosphate), 3'-(1-naphthalenecarboxylate)
  • naphthalene-1-carboxylic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] ester
CAS Number(s)
  • 71160-02-6
InChIKey YCSLKNYVZVBVQF-WVSUBDOOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N