(S)-2-(4-(2-Bromoacetamido)Benzyl)-Dota
Properties
Property | Value |
---|---|
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 |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |