(9R)-2-Amino-9-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-[(E)-(1-Hydroxy-2,3,5,6,7,8-Hexahydroquinoline-2,3,4A,5,6,7,8,8A-Octaid-4-Ylidene)Amino]-3,8-Dihydropurin-1-Ium-6-One
Properties
Property | Value |
---|---|
Formula | C19H31N7O6++ |
IUPAC Name | 7-[(e)-[(1s,4ar,8as)-1-hydroxy-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-4-ylidene]amino]-2-amino-9-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,8-dihydropurin-3-ium-6-one |
Molecular Mass | 453.493 g·mol−1 |
Heat of Formation | -371.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.80 ± 1.08 D |
Volume | 485.34 Å 3 |
Surface Area | 404.09 Å 2 |
HOMO Energy | -8.22 ± 0.55 eV |
LUMO Energy | -0.90 ± eV |
Point Group Symmetry | C1 |
InChIKey | GFALFLRIHZSWBP-UZXVTVCBSA-P |
QR Code | Generate QR Code |
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Elements | H C O N |