N-(2-Aminoethyl)-2-[4-[[2-[4-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]Phenyl]Acetyl]Amino]Phenyl]Acetamide
Properties
Property | Value |
---|---|
Formula | C28H32N8O6 |
IUPAC Name | n-(2-aminoethyl)-2-[4-[[2-[4-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide |
Molecular Mass | 576.604 g·mol−1 |
Heat of Formation | -661.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.90 ± 1.08 D |
Volume | 667.12 Å 3 |
Surface Area | 565.48 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | 1.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | JIYDZKIECYVTEP-QZHHGCDDSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |