(3R)-3-{[3-(Methylsulfanyl)Propanoyl]Oxy}-4-(Trimethylammonio)Butanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C11H22NO4S+
IUPAC Name [(2r)-3-carboxy-2-(3-methylsulfanylpropanoyloxy)propyl]-trimethyl-ammonium
Molecular Mass 264.362 g·mol−1
Heat of Formation -671.3 ± 16.7 kJ·mol−1
Dipole Moment 12.97 ± 1.08 D
Volume 320.05 Å 3
Surface Area 262.02 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey CQOQLOIRKUFXKA-VIFPVBQESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N