(2R,3R,4S)-3-Acetamido-4-Carbamimidamido-2-[Methyl(Propyl)Carbamoyl]-3,4-Dihydro-2H-Pyran-6-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C14H23N5O5
IUPAC Name (2r,3r,4s)-3-acetamido-4-guanidino-2-[methyl(propyl)carbamoyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 341.363 g·mol−1
Heat of Formation -820.4 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 406.59 Å 3
Surface Area 347.81 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-(acetylamino)-4-(amidinoamino)-6-(n-methyl-n-propylcarbamoyl)-4h-5,6-dihydropyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-4-(diaminomethylideneamino)-6-(methyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-4-(diaminomethylideneamino)-6-(methyl-propylcarbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-4-guanidino-6-(methyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-4-guanidino-6-[(methyl-propylamino)-oxomethyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 4-acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid
  • carboxamide deriv. 5f
  • g20
InChIKey QPJWMZVTNXFTKV-JMJZKYOTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N