5'-{[(3S)-3-Amino-3-Carboxypropyl](Methyl)Amino}-5'-Deoxyadenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C15H23N7O5
IUPAC Name (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]butanoic acid
Molecular Mass 381.387 g·mol−1
Heat of Formation -682.1 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 436.48 Å 3
Surface Area 362.46 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl-methylamino]butanoic acid
  • (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-amino]butanoic acid
  • (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]butanoic acid
  • (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-amino]butyric acid
  • (2s)-2-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butanoic acid
  • 5'-[n-[(3s)-3-amino-3-carboxypropyl]-n-methylamino]-5'-deoxyadenosine
  • adomdb
  • n(4)-adenosyl-n(4)-methyl-2,4-diaminobutanoic acid
  • s-5'-azamethionine-5'-deoxyadenosine
  • sa8
CAS Number(s)
  • 111770-79-7
InChIKey JISVTSUBJCPLSV-TWBCTODHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N