(S)-2-(4-(2-Bromoacetamido)Benzyl)-Dota

Molecule SVG Image

Properties Simple | Detailed

Formula C25H36BrN5O9
IUPAC Name 2-[(1s,4r,6s,7r,10r)-6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Mass 630.485 g·mol−1
Heat of Formation -1531.6 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 686.02 Å 3
Surface Area 493.56 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey AOBVUTGWKRRSRO-FQEVSTJZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N