S-[2-[3-[[(2S)-2-Hydroxy-3,3-Dimethyl-4-Phosphonooxy-Butanoyl]Amino]Propanoylamino]Ethyl] 2-Aminoethanethioate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H26N3O8PS
IUPAC Name s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 2-aminoethanethioate
Molecular Mass 415.400 g·mol−1
Heat of Formation -1835.2 ± 16.7 kJ·mol−1
Dipole Moment 8.15 ± 1.08 D
Volume 474.54 Å 3
Surface Area 420.67 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey CGYKHWUDQZHKBD-LLVKDONJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S